#------------------------------------------------------------------------------
#$Date: 2019-10-28 01:26:42 +0200 (Mon, 28 Oct 2019) $
#$Revision: 219552 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/29/4002929.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4002929
loop_
_publ_author_name
'Gvozdetskyi, Volodymyr'
'Owens-Baird, Bryan'
'Hong, Sangki'
'Cox, Tori'
'Bhaskar, Gourab'
'Harmer, Colin'
'Sun, Yang'
'Zhang, Feng'
'Wang, Cai-Zhuang'
'Ho, Kai-Ming'
'Zaikina, Julia V.'
_publ_section_title
;
 From NaZn4Sb3 to HT-Na1--xZn4--ySb3: Panoramic Hydride Synthesis,
 Structural Diversity, and Thermoelectric Properties
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.9b02239
_journal_year                    2019
_chemical_formula_analytical     NaZn4Sb3
_chemical_formula_moiety         'Na Zn4 Sb3'
_chemical_formula_structural     NaZn4Sb3
_chemical_formula_sum            'Na Sb3 Zn4'
_chemical_formula_weight         649.76
_chemical_name_common            'sodium zinc antimonide'
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_audit_creation_date             2019-03-15T11:52
_audit_creation_method           'created in GSAS-II'
_audit_update_record
'2019-03-15T11:52  Initial software-generated CIF'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.43579(4)
_cell_length_b                   4.43579(4)
_cell_length_c                   23.41553(9)
_cell_measurement_temperature    295
_cell_volume                     399.003(5)
_computing_structure_refinement
'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)'
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Argon Laboratory 11BM'
_diffrn_radiation_polarisn_ratio 0.9900
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.41280
_diffrn_source                   'synchrotron radiation'
_exptl_crystal_colour            grey
_exptl_crystal_recrystallization_method
'solid state synthesis, powdered samples'
_pd_block_id                     2019-03-15T11:52|hex|ho|APS11BM
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  grey
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.00100
_pd_meas_2theta_range_max        49.99654
_pd_meas_2theta_range_min        0.50000
_pd_phase_name                   'NaSb3 Zn4'
_pd_prep_temperature             295
_pd_proc_2theta_range_inc        0.00100
_pd_proc_2theta_range_max        49.99512
_pd_proc_2theta_range_min        0.49858
_pd_proc_info_datetime           2019-03-15T11:52
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
; Background function: "chebyschev" function with 14 terms:
    344.6(7), -484(4), 1147(18), 2263(31), -1.081(12)e4, -2.64(7)e3, 
    3.076(25)e4, -10167(14), -2.397(7)e4, 1.433(7)e4, -1.227(29)e4, 
    8.64(5)e3, 1.529(20)e4, -1.228(8)e4, 
;
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function
; Finger-Cox-Jephcoat function parameters U, V, W, X, Y, SH/L:
  peak variance(Gauss) = Utan(Th)^2^+Vtan(Th)+W:
  peak HW(Lorentz) = X/cos(Th)+Ytan(Th); SH/L = S/L+H/L
  U, V, W in (centideg)^2^, X & Y in centideg
    12.4(14), -2.19(24), 0.103(11), 2.014(16), 7(7), -0.00080(17), 
  Crystallite size model "uniaxial" for NaSb3 Zn4 (microns)
  anisotropic axis is [0, 0, 1]
  parameters: equatorial size, axial size, G/L mix
    10(26), 0.1165(22), 1.003(22), 
  Mustrain model "uniaxial" for NaSb3 Zn4 (10^6^)
  anisotropic axis is [0, 0, 1]
  parameters: equatorial mustrain, axial mustrain, G/L mix
    8(6)e2, 1.0(4)e3, 1.0(6),   
  Macrostrain parameters: D11, D33, 
    0.000, 0.000, 

;
_pd_proc_ls_prof_R_factor        0.10045
_pd_proc_ls_prof_wR_expected     0.03975
_pd_proc_ls_prof_wR_factor       0.12698
_pd_proc_number_of_points        49575
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   3.196
_refine_ls_matrix_type           full
_refine_ls_number_parameters     42
_refine_ls_R_Fsqd_factor         0.15752
_refine_ls_wR_factor_obs         0.12698
_reflns_d_resolution_high        0.488
_reflns_d_resolution_low         11.708
_reflns_limit_h_max              5
_reflns_limit_h_min              5
_reflns_limit_k_max              0
_reflns_limit_k_min              0
_reflns_limit_l_max              37
_reflns_limit_l_min              37
_reflns_number_total             760
_cod_data_source_file            cm9b02239_si_003.cif
_cod_data_source_block           NaZn4Sb3
_cod_database_code               4002929
_refine_ls_r_f_factor            0.12872
_gsas_proc_ls_prof_r_b_factor    0.11802
_gsas_proc_ls_prof_wr_b_factor   0.15601
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,1/2+z
3 -y,x-y,z
4 -x,-y,1/2+z
5 y-x,-x,z
6 y,y-x,1/2+z
7 y-x,y,z
8 -x,y-x,-1/2+z
9 -y,-x,z
10 x-y,-y,-1/2+z
11 x,x-y,z
12 y,x,-1/2+z
13 -x,-y,-z
14 y-x,-x,-1/2-z
15 y,y-x,-z
16 x,y,-1/2-z
17 x-y,x,-z
18 -y,x-y,-1/2-z
19 x-y,-y,-z
20 x,x-y,1/2-z
21 y,x,-z
22 y-x,y,1/2-z
23 -x,y-x,-z
24 -y,-x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Sb1 Sb 0.33333 0.66667 0.75000 1.000 Uiso 0.0220(3) 2
Sb2 Sb 0.33333 0.66667 0.08580(4) 1.000 Uiso 0.01048(15) 4
Zn1 Zn 0.33333 0.66667 0.61404(5) 1.000 Uiso 0.0350(4) 4
Zn2 Zn 0.33333 0.66667 0.19542(5) 1.000 Uiso 0.0361(3) 4
Na Na 0.00000 0.00000 0.00000 1.000 Uiso 0.1120(29) 2
loop_
_atom_type_symbol
_atom_type_number_in_cell
Na 2
Sb 6
Zn 8
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Zn1 Sb2 Zn1 113.969(25) 2_554 1_555 2_654 yes
Zn1 Sb2 Zn1 113.969(25) 2_554 1_555 2_664 yes
Zn1 Sb2 Zn1 113.969(25) 2_654 1_555 2_664 yes
Zn1 Sb2 Zn1 0 2_554 1_555 4_564 yes
Zn1 Sb2 Zn1 113.969(25) 2_654 1_555 4_564 yes
Zn1 Sb2 Zn1 113.969(25) 2_664 1_555 4_564 yes
Zn1 Sb2 Zn1 113.969(25) 2_554 1_555 4_664 yes
Zn1 Sb2 Zn1 0 2_654 1_555 4_664 yes
Zn1 Sb2 Zn1 113.969(25) 2_664 1_555 4_664 yes
Zn1 Sb2 Zn1 113.969(25) 4_564 1_555 4_664 yes
Zn1 Sb2 Zn1 113.969(25) 2_554 1_555 4_674 yes
Zn1 Sb2 Zn1 113.969(25) 2_654 1_555 4_674 yes
Zn1 Sb2 Zn1 0 2_664 1_555 4_674 yes
Zn1 Sb2 Zn1 113.969(25) 4_564 1_555 4_674 yes
Zn1 Sb2 Zn1 113.969(25) 4_664 1_555 4_674 yes
Zn1 Sb2 Zn1 0 2_554 1_555 6_454 yes
Zn1 Sb2 Zn1 113.969(25) 2_654 1_555 6_454 yes
Zn1 Sb2 Zn1 113.969(25) 2_664 1_555 6_454 yes
Zn1 Sb2 Zn1 0 4_564 1_555 6_454 yes
Zn1 Sb2 Zn1 113.969(25) 4_664 1_555 6_454 yes
Zn1 Sb2 Zn1 113.969(25) 4_674 1_555 6_454 yes
Zn1 Sb2 Zn1 113.969(25) 2_554 1_555 6_554 yes
Zn1 Sb2 Zn1 0 2_654 1_555 6_554 yes
Zn1 Sb2 Zn1 113.969(25) 2_664 1_555 6_554 yes
Zn1 Sb2 Zn1 113.969(25) 4_564 1_555 6_554 yes
Zn1 Sb2 Zn1 0 4_664 1_555 6_554 yes
Zn1 Sb2 Zn1 113.969(25) 4_674 1_555 6_554 yes
Zn1 Sb2 Zn1 113.969(25) 6_454 1_555 6_554 yes
Zn1 Sb2 Zn1 113.969(25) 2_554 1_555 6_564 yes
Zn1 Sb2 Zn1 113.969(25) 2_654 1_555 6_564 yes
Zn1 Sb2 Zn1 0 2_664 1_555 6_564 yes
Zn1 Sb2 Zn1 113.969(25) 4_564 1_555 6_564 yes
Zn1 Sb2 Zn1 113.969(25) 4_664 1_555 6_564 yes
Zn1 Sb2 Zn1 0 4_674 1_555 6_564 yes
Zn1 Sb2 Zn1 113.969(25) 6_454 1_555 6_564 yes
Zn1 Sb2 Zn1 113.969(25) 6_554 1_555 6_564 yes
Zn1 Sb2 Zn2 75.52(3) 2_554 1_555 1_555 yes
Zn1 Sb2 Zn2 75.52(3) 2_654 1_555 1_555 yes
Zn1 Sb2 Zn2 75.52(3) 2_664 1_555 1_555 yes
Zn1 Sb2 Zn2 75.52(3) 4_564 1_555 1_555 yes
Zn1 Sb2 Zn2 75.52(3) 4_664 1_555 1_555 yes
Zn1 Sb2 Zn2 75.52(3) 4_674 1_555 1_555 yes
Zn1 Sb2 Zn2 75.52(3) 6_454 1_555 1_555 yes
Zn1 Sb2 Zn2 75.52(3) 6_554 1_555 1_555 yes
Zn1 Sb2 Zn2 75.52(3) 6_564 1_555 1_555 yes
Zn1 Sb2 Zn2 75.52(3) 2_554 1_555 3_665 yes
Zn1 Sb2 Zn2 75.52(3) 2_654 1_555 3_665 yes
Zn1 Sb2 Zn2 75.52(3) 2_664 1_555 3_665 yes
Zn1 Sb2 Zn2 75.52(3) 4_564 1_555 3_665 yes
Zn1 Sb2 Zn2 75.52(3) 4_664 1_555 3_665 yes
Zn1 Sb2 Zn2 75.52(3) 4_674 1_555 3_665 yes
Zn1 Sb2 Zn2 75.52(3) 6_454 1_555 3_665 yes
Zn1 Sb2 Zn2 75.52(3) 6_554 1_555 3_665 yes
Zn1 Sb2 Zn2 75.52(3) 6_564 1_555 3_665 yes
Zn2 Sb2 Zn2 0 1_555 1_555 3_665 yes
Zn1 Sb2 Zn2 75.52(3) 2_554 1_555 5_565 yes
Zn1 Sb2 Zn2 75.52(3) 2_654 1_555 5_565 yes
Zn1 Sb2 Zn2 75.52(3) 2_664 1_555 5_565 yes
Zn1 Sb2 Zn2 75.52(3) 4_564 1_555 5_565 yes
Zn1 Sb2 Zn2 75.52(3) 4_664 1_555 5_565 yes
Zn1 Sb2 Zn2 75.52(3) 4_674 1_555 5_565 yes
Zn1 Sb2 Zn2 75.52(3) 6_454 1_555 5_565 yes
Zn1 Sb2 Zn2 75.52(3) 6_554 1_555 5_565 yes
Zn1 Sb2 Zn2 75.52(3) 6_564 1_555 5_565 yes
Zn2 Sb2 Zn2 0 1_555 1_555 5_565 yes
Zn2 Sb2 Zn2 0 3_665 1_555 5_565 yes
Zn1 Sb2 Na 76.903(19) 2_554 1_555 1_555 yes
Zn1 Sb2 Na 76.903(19) 2_654 1_555 1_555 yes
Zn1 Sb2 Na 156.37(4) 2_664 1_555 1_555 yes
Zn1 Sb2 Na 76.903(19) 4_564 1_555 1_555 yes
Zn1 Sb2 Na 76.903(19) 4_664 1_555 1_555 yes
Zn1 Sb2 Na 156.37(4) 4_674 1_555 1_555 yes
Zn1 Sb2 Na 76.903(19) 6_454 1_555 1_555 yes
Zn1 Sb2 Na 76.903(19) 6_554 1_555 1_555 yes
Zn1 Sb2 Na 156.37(4) 6_564 1_555 1_555 yes
Zn2 Sb2 Na 128.113(13) 1_555 1_555 1_555 yes
Zn2 Sb2 Na 128.113(13) 3_665 1_555 1_555 yes
Zn2 Sb2 Na 128.113(13) 5_565 1_555 1_555 yes
Zn1 Sb2 Na 76.903(19) 2_554 1_555 1_565 yes
Zn1 Sb2 Na 156.37(4) 2_654 1_555 1_565 yes
Zn1 Sb2 Na 76.903(19) 2_664 1_555 1_565 yes
Zn1 Sb2 Na 76.903(19) 4_564 1_555 1_565 yes
Zn1 Sb2 Na 156.37(4) 4_664 1_555 1_565 yes
Zn1 Sb2 Na 76.903(19) 4_674 1_555 1_565 yes
Zn1 Sb2 Na 76.903(19) 6_454 1_555 1_565 yes
Zn1 Sb2 Na 156.37(4) 6_554 1_555 1_565 yes
Zn1 Sb2 Na 76.903(19) 6_564 1_555 1_565 yes
Zn2 Sb2 Na 128.113(13) 1_555 1_555 1_565 yes
Zn2 Sb2 Na 128.113(13) 3_665 1_555 1_565 yes
Zn2 Sb2 Na 128.113(13) 5_565 1_555 1_565 yes
Na Sb2 Na 85.904(19) 1_555 1_555 1_565 yes
Zn1 Sb2 Na 156.37(4) 2_554 1_555 1_665 yes
Zn1 Sb2 Na 76.903(19) 2_654 1_555 1_665 yes
Zn1 Sb2 Na 76.903(19) 2_664 1_555 1_665 yes
Zn1 Sb2 Na 156.37(4) 4_564 1_555 1_665 yes
Zn1 Sb2 Na 76.903(19) 4_664 1_555 1_665 yes
Zn1 Sb2 Na 76.903(19) 4_674 1_555 1_665 yes
Zn1 Sb2 Na 156.37(4) 6_454 1_555 1_665 yes
Zn1 Sb2 Na 76.903(19) 6_554 1_555 1_665 yes
Zn1 Sb2 Na 76.903(19) 6_564 1_555 1_665 yes
Zn2 Sb2 Na 128.113(13) 1_555 1_555 1_665 yes
Zn2 Sb2 Na 128.113(13) 3_665 1_555 1_665 yes
Zn2 Sb2 Na 128.113(13) 5_565 1_555 1_665 yes
Na Sb2 Na 85.904(19) 1_555 1_555 1_665 yes
Na Sb2 Na 85.904(19) 1_565 1_555 1_665 yes
Sb2 Zn1 Sb2 113.969(25) 2_555 1_555 2_655 yes
Sb2 Zn1 Sb2 113.969(25) 2_555 1_555 2_665 yes
Sb2 Zn1 Sb2 113.969(25) 2_655 1_555 2_665 yes
Sb2 Zn1 Sb2 0 2_555 1_555 4_565 yes
Sb2 Zn1 Sb2 113.969(25) 2_655 1_555 4_565 yes
Sb2 Zn1 Sb2 113.969(25) 2_665 1_555 4_565 yes
Sb2 Zn1 Sb2 113.969(25) 2_555 1_555 4_665 yes
Sb2 Zn1 Sb2 0 2_655 1_555 4_665 yes
Sb2 Zn1 Sb2 113.969(25) 2_665 1_555 4_665 yes
Sb2 Zn1 Sb2 113.969(25) 4_565 1_555 4_665 yes
Sb2 Zn1 Sb2 113.969(25) 2_555 1_555 4_675 yes
Sb2 Zn1 Sb2 113.969(25) 2_655 1_555 4_675 yes
Sb2 Zn1 Sb2 0 2_665 1_555 4_675 yes
Sb2 Zn1 Sb2 113.969(25) 4_565 1_555 4_675 yes
Sb2 Zn1 Sb2 113.969(25) 4_665 1_555 4_675 yes
Sb2 Zn1 Sb2 0 2_555 1_555 6_455 yes
Sb2 Zn1 Sb2 113.969(25) 2_655 1_555 6_455 yes
Sb2 Zn1 Sb2 113.969(25) 2_665 1_555 6_455 yes
Sb2 Zn1 Sb2 0 4_565 1_555 6_455 yes
Sb2 Zn1 Sb2 113.969(25) 4_665 1_555 6_455 yes
Sb2 Zn1 Sb2 113.969(25) 4_675 1_555 6_455 yes
Sb2 Zn1 Sb2 113.969(25) 2_555 1_555 6_555 yes
Sb2 Zn1 Sb2 0 2_655 1_555 6_555 yes
Sb2 Zn1 Sb2 113.969(25) 2_665 1_555 6_555 yes
Sb2 Zn1 Sb2 113.969(25) 4_565 1_555 6_555 yes
Sb2 Zn1 Sb2 0 4_665 1_555 6_555 yes
Sb2 Zn1 Sb2 113.969(25) 4_675 1_555 6_555 yes
Sb2 Zn1 Sb2 113.969(25) 6_455 1_555 6_555 yes
Sb2 Zn1 Sb2 113.969(25) 2_555 1_555 6_565 yes
Sb2 Zn1 Sb2 113.969(25) 2_655 1_555 6_565 yes
Sb2 Zn1 Sb2 0 2_665 1_555 6_565 yes
Sb2 Zn1 Sb2 113.969(25) 4_565 1_555 6_565 yes
Sb2 Zn1 Sb2 113.969(25) 4_665 1_555 6_565 yes
Sb2 Zn1 Sb2 0 4_675 1_555 6_565 yes
Sb2 Zn1 Sb2 113.969(25) 6_455 1_555 6_565 yes
Sb2 Zn1 Sb2 113.969(25) 6_555 1_555 6_565 yes
Sb2 Zn2 Sb2 0 1_555 1_555 3_665 yes
Sb2 Zn2 Sb2 0 1_555 1_555 5_565 yes
Sb2 Zn2 Sb2 0 3_665 1_555 5_565 yes
Sb2 Zn2 Zn2 180 1_555 1_555 14_566 yes
Sb2 Zn2 Zn2 180 3_665 1_555 14_566 yes
Sb2 Zn2 Zn2 180 5_565 1_555 14_566 yes
Sb2 Zn2 Zn2 180 1_555 1_555 16_556 yes
Sb2 Zn2 Zn2 180 3_665 1_555 16_556 yes
Sb2 Zn2 Zn2 180 5_565 1_555 16_556 yes
Zn2 Zn2 Zn2 0 14_566 1_555 16_556 yes
Sb2 Zn2 Zn2 180 1_555 1_555 18_666 yes
Sb2 Zn2 Zn2 180 3_665 1_555 18_666 yes
Sb2 Zn2 Zn2 180 5_565 1_555 18_666 yes
Zn2 Zn2 Zn2 0 14_566 1_555 18_666 yes
Zn2 Zn2 Zn2 0 16_556 1_555 18_666 yes
Sb2 Na Sb2 85.904(19) 1_445 1_555 1_545 yes
Sb2 Na Sb2 85.904(19) 1_445 1_555 1_555 yes
Sb2 Na Sb2 85.904(19) 1_545 1_555 1_555 yes
Sb2 Na Sb2 0 1_445 1_555 3_555 yes
Sb2 Na Sb2 85.904(19) 1_545 1_555 3_555 yes
Sb2 Na Sb2 85.904(19) 1_555 1_555 3_555 yes
Sb2 Na Sb2 85.904(19) 1_445 1_555 3_655 yes
Sb2 Na Sb2 0 1_545 1_555 3_655 yes
Sb2 Na Sb2 85.904(19) 1_555 1_555 3_655 yes
Sb2 Na Sb2 85.904(19) 3_555 1_555 3_655 yes
Sb2 Na Sb2 85.904(19) 1_445 1_555 3_665 yes
Sb2 Na Sb2 85.904(19) 1_545 1_555 3_665 yes
Sb2 Na Sb2 0 1_555 1_555 3_665 yes
Sb2 Na Sb2 85.904(19) 3_555 1_555 3_665 yes
Sb2 Na Sb2 85.904(19) 3_655 1_555 3_665 yes
Sb2 Na Sb2 0 1_445 1_555 5_455 yes
Sb2 Na Sb2 85.904(19) 1_545 1_555 5_455 yes
Sb2 Na Sb2 85.904(19) 1_555 1_555 5_455 yes
Sb2 Na Sb2 0 3_555 1_555 5_455 yes
Sb2 Na Sb2 85.904(19) 3_655 1_555 5_455 yes
Sb2 Na Sb2 85.904(19) 3_665 1_555 5_455 yes
Sb2 Na Sb2 85.904(19) 1_445 1_555 5_555 yes
Sb2 Na Sb2 0 1_545 1_555 5_555 yes
Sb2 Na Sb2 85.904(19) 1_555 1_555 5_555 yes
Sb2 Na Sb2 85.904(19) 3_555 1_555 5_555 yes
Sb2 Na Sb2 0 3_655 1_555 5_555 yes
Sb2 Na Sb2 85.904(19) 3_665 1_555 5_555 yes
Sb2 Na Sb2 85.904(19) 5_455 1_555 5_555 yes
Sb2 Na Sb2 85.904(19) 1_445 1_555 5_565 yes
Sb2 Na Sb2 85.904(19) 1_545 1_555 5_565 yes
Sb2 Na Sb2 0 1_555 1_555 5_565 yes
Sb2 Na Sb2 85.904(19) 3_555 1_555 5_565 yes
Sb2 Na Sb2 85.904(19) 3_655 1_555 5_565 yes
Sb2 Na Sb2 0 3_665 1_555 5_565 yes
Sb2 Na Sb2 85.904(19) 5_455 1_555 5_565 yes
Sb2 Na Sb2 85.904(19) 5_555 1_555 5_565 yes
Sb2 Na Sb2 94.096(19) 1_445 1_555 13_555 yes
Sb2 Na Sb2 94.096(19) 1_545 1_555 13_555 yes
Sb2 Na Sb2 180 1_555 1_555 13_555 yes
Sb2 Na Sb2 94.096(19) 3_555 1_555 13_555 yes
Sb2 Na Sb2 94.096(19) 3_655 1_555 13_555 yes
Sb2 Na Sb2 180 3_665 1_555 13_555 yes
Sb2 Na Sb2 94.096(19) 5_455 1_555 13_555 yes
Sb2 Na Sb2 94.096(19) 5_555 1_555 13_555 yes
Sb2 Na Sb2 180 5_565 1_555 13_555 yes
Sb2 Na Sb2 94.096(19) 1_445 1_555 13_565 yes
Sb2 Na Sb2 180 1_545 1_555 13_565 yes
Sb2 Na Sb2 94.096(19) 1_555 1_555 13_565 yes
Sb2 Na Sb2 94.096(19) 3_555 1_555 13_565 yes
Sb2 Na Sb2 180 3_655 1_555 13_565 yes
Sb2 Na Sb2 94.096(19) 3_665 1_555 13_565 yes
Sb2 Na Sb2 94.096(19) 5_455 1_555 13_565 yes
Sb2 Na Sb2 180 5_555 1_555 13_565 yes
Sb2 Na Sb2 94.096(19) 5_565 1_555 13_565 yes
Sb2 Na Sb2 85.904(19) 13_555 1_555 13_565 yes
Sb2 Na Sb2 180 1_445 1_555 13_665 yes
Sb2 Na Sb2 94.096(19) 1_545 1_555 13_665 yes
Sb2 Na Sb2 94.096(19) 1_555 1_555 13_665 yes
Sb2 Na Sb2 180 3_555 1_555 13_665 yes
Sb2 Na Sb2 94.096(19) 3_655 1_555 13_665 yes
Sb2 Na Sb2 94.096(19) 3_665 1_555 13_665 yes
Sb2 Na Sb2 180 5_455 1_555 13_665 yes
Sb2 Na Sb2 94.096(19) 5_555 1_555 13_665 yes
Sb2 Na Sb2 94.096(19) 5_565 1_555 13_665 yes
Sb2 Na Sb2 85.904(19) 13_555 1_555 13_665 yes
Sb2 Na Sb2 85.904(19) 13_565 1_555 13_665 yes
Sb2 Na Sb2 94.096(19) 1_445 1_555 15_445 yes
Sb2 Na Sb2 94.096(19) 1_545 1_555 15_445 yes
Sb2 Na Sb2 180 1_555 1_555 15_445 yes
Sb2 Na Sb2 94.096(19) 3_555 1_555 15_445 yes
Sb2 Na Sb2 94.096(19) 3_655 1_555 15_445 yes
Sb2 Na Sb2 180 3_665 1_555 15_445 yes
Sb2 Na Sb2 94.096(19) 5_455 1_555 15_445 yes
Sb2 Na Sb2 94.096(19) 5_555 1_555 15_445 yes
Sb2 Na Sb2 180 5_565 1_555 15_445 yes
Sb2 Na Sb2 0 13_555 1_555 15_445 yes
Sb2 Na Sb2 85.904(19) 13_565 1_555 15_445 yes
Sb2 Na Sb2 85.904(19) 13_665 1_555 15_445 yes
Sb2 Na Sb2 94.096(19) 1_445 1_555 15_455 yes
Sb2 Na Sb2 180 1_545 1_555 15_455 yes
Sb2 Na Sb2 94.096(19) 1_555 1_555 15_455 yes
Sb2 Na Sb2 94.096(19) 3_555 1_555 15_455 yes
Sb2 Na Sb2 180 3_655 1_555 15_455 yes
Sb2 Na Sb2 94.096(19) 3_665 1_555 15_455 yes
Sb2 Na Sb2 94.096(19) 5_455 1_555 15_455 yes
Sb2 Na Sb2 180 5_555 1_555 15_455 yes
Sb2 Na Sb2 94.096(19) 5_565 1_555 15_455 yes
Sb2 Na Sb2 85.904(19) 13_555 1_555 15_455 yes
Sb2 Na Sb2 0 13_565 1_555 15_455 yes
Sb2 Na Sb2 85.904(19) 13_665 1_555 15_455 yes
Sb2 Na Sb2 85.904(19) 15_445 1_555 15_455 yes
Sb2 Na Sb2 180 1_445 1_555 15_555 yes
Sb2 Na Sb2 94.096(19) 1_545 1_555 15_555 yes
Sb2 Na Sb2 94.096(19) 1_555 1_555 15_555 yes
Sb2 Na Sb2 180 3_555 1_555 15_555 yes
Sb2 Na Sb2 94.096(19) 3_655 1_555 15_555 yes
Sb2 Na Sb2 94.096(19) 3_665 1_555 15_555 yes
Sb2 Na Sb2 180 5_455 1_555 15_555 yes
Sb2 Na Sb2 94.096(19) 5_555 1_555 15_555 yes
Sb2 Na Sb2 94.096(19) 5_565 1_555 15_555 yes
Sb2 Na Sb2 85.904(19) 13_555 1_555 15_555 yes
Sb2 Na Sb2 85.904(19) 13_565 1_555 15_555 yes
Sb2 Na Sb2 0 13_665 1_555 15_555 yes
Sb2 Na Sb2 85.904(19) 15_445 1_555 15_555 yes
Sb2 Na Sb2 85.904(19) 15_455 1_555 15_555 yes
Sb2 Na Sb2 94.096(19) 1_445 1_555 17_545 yes
Sb2 Na Sb2 94.096(19) 1_545 1_555 17_545 yes
Sb2 Na Sb2 180 1_555 1_555 17_545 yes
Sb2 Na Sb2 94.096(19) 3_555 1_555 17_545 yes
Sb2 Na Sb2 94.096(19) 3_655 1_555 17_545 yes
Sb2 Na Sb2 180 3_665 1_555 17_545 yes
Sb2 Na Sb2 94.096(19) 5_455 1_555 17_545 yes
Sb2 Na Sb2 94.096(19) 5_555 1_555 17_545 yes
Sb2 Na Sb2 180 5_565 1_555 17_545 yes
Sb2 Na Sb2 0 13_555 1_555 17_545 yes
Sb2 Na Sb2 85.904(19) 13_565 1_555 17_545 yes
Sb2 Na Sb2 85.904(19) 13_665 1_555 17_545 yes
Sb2 Na Sb2 0 15_445 1_555 17_545 yes
Sb2 Na Sb2 85.904(19) 15_455 1_555 17_545 yes
Sb2 Na Sb2 85.904(19) 15_555 1_555 17_545 yes
Sb2 Na Sb2 94.096(19) 1_445 1_555 17_555 yes
Sb2 Na Sb2 180 1_545 1_555 17_555 yes
Sb2 Na Sb2 94.096(19) 1_555 1_555 17_555 yes
Sb2 Na Sb2 94.096(19) 3_555 1_555 17_555 yes
Sb2 Na Sb2 180 3_655 1_555 17_555 yes
Sb2 Na Sb2 94.096(19) 3_665 1_555 17_555 yes
Sb2 Na Sb2 94.096(19) 5_455 1_555 17_555 yes
Sb2 Na Sb2 180 5_555 1_555 17_555 yes
Sb2 Na Sb2 94.096(19) 5_565 1_555 17_555 yes
Sb2 Na Sb2 85.904(19) 13_555 1_555 17_555 yes
Sb2 Na Sb2 0 13_565 1_555 17_555 yes
Sb2 Na Sb2 85.904(19) 13_665 1_555 17_555 yes
Sb2 Na Sb2 85.904(19) 15_445 1_555 17_555 yes
Sb2 Na Sb2 0 15_455 1_555 17_555 yes
Sb2 Na Sb2 85.904(19) 15_555 1_555 17_555 yes
Sb2 Na Sb2 85.904(19) 17_545 1_555 17_555 yes
Sb2 Na Sb2 180 1_445 1_555 17_655 yes
Sb2 Na Sb2 94.096(19) 1_545 1_555 17_655 yes
Sb2 Na Sb2 94.096(19) 1_555 1_555 17_655 yes
Sb2 Na Sb2 180 3_555 1_555 17_655 yes
Sb2 Na Sb2 94.096(19) 3_655 1_555 17_655 yes
Sb2 Na Sb2 94.096(19) 3_665 1_555 17_655 yes
Sb2 Na Sb2 180 5_455 1_555 17_655 yes
Sb2 Na Sb2 94.096(19) 5_555 1_555 17_655 yes
Sb2 Na Sb2 94.096(19) 5_565 1_555 17_655 yes
Sb2 Na Sb2 85.904(19) 13_555 1_555 17_655 yes
Sb2 Na Sb2 85.904(19) 13_565 1_555 17_655 yes
Sb2 Na Sb2 0 13_665 1_555 17_655 yes
Sb2 Na Sb2 85.904(19) 15_445 1_555 17_655 yes
Sb2 Na Sb2 85.904(19) 15_455 1_555 17_655 yes
Sb2 Na Sb2 0 15_555 1_555 17_655 yes
Sb2 Na Sb2 85.904(19) 17_545 1_555 17_655 yes
Sb2 Na Sb2 85.904(19) 17_555 1_555 17_655 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 Zn1 3.1836(12) 1_555 1_555 yes
Sb1 Zn1 3.1836(12) 1_555 3_665 yes
Sb1 Zn1 3.1836(12) 1_555 5_565 yes
Sb1 Zn1 3.1836(12) 1_555 14_567 yes
Sb1 Zn1 3.1836(12) 1_555 16_557 yes
Sb1 Zn1 3.1836(12) 1_555 18_667 yes
Sb1 Zn2 2.8622(5) 1_555 2_555 yes
Sb1 Zn2 2.8622(5) 1_555 2_655 yes
Sb1 Zn2 2.8622(5) 1_555 2_665 yes
Sb1 Zn2 2.8622(5) 1_555 4_565 yes
Sb1 Zn2 2.8622(5) 1_555 4_665 yes
Sb1 Zn2 2.8622(5) 1_555 4_675 yes
Sb1 Zn2 2.8622(5) 1_555 6_455 yes
Sb1 Zn2 2.8622(5) 1_555 6_555 yes
Sb1 Zn2 2.8622(5) 1_555 6_565 yes
Sb1 Zn2 2.8622(5) 1_555 13_566 yes
Sb1 Zn2 2.8622(5) 1_555 13_666 yes
Sb1 Zn2 2.8622(5) 1_555 13_676 yes
Sb1 Zn2 2.8622(5) 1_555 15_456 yes
Sb1 Zn2 2.8622(5) 1_555 15_556 yes
Sb1 Zn2 2.8622(5) 1_555 15_566 yes
Sb1 Zn2 2.8622(5) 1_555 17_556 yes
Sb1 Zn2 2.8622(5) 1_555 17_656 yes
Sb1 Zn2 2.8622(5) 1_555 17_666 yes
Sb2 Zn1 2.6450(4) 1_555 2_554 yes
Sb2 Zn1 2.6450(4) 1_555 2_654 yes
Sb2 Zn1 2.6450(4) 1_555 2_664 yes
Sb2 Zn1 2.6450(4) 1_555 4_564 yes
Sb2 Zn1 2.6450(4) 1_555 4_664 yes
Sb2 Zn1 2.6450(4) 1_555 4_674 yes
Sb2 Zn1 2.6450(4) 1_555 6_454 yes
Sb2 Zn1 2.6450(4) 1_555 6_554 yes
Sb2 Zn1 2.6450(4) 1_555 6_564 yes
Sb2 Zn2 2.5668(15) 1_555 1_555 yes
Sb2 Zn2 2.5668(15) 1_555 3_665 yes
Sb2 Zn2 2.5668(15) 1_555 5_565 yes
Sb2 Na 3.2550(6) 1_555 1_555 yes
Sb2 Na 3.2550(6) 1_555 1_565 yes
Sb2 Na 3.2550(6) 1_555 1_665 yes
Zn1 Sb1 3.1836(12) 1_555 1_555 yes
Zn1 Sb1 3.1836(12) 1_555 3_665 yes
Zn1 Sb1 3.1836(12) 1_555 5_565 yes
Zn1 Sb2 2.6450(4) 1_555 2_555 yes
Zn1 Sb2 2.6450(4) 1_555 2_655 yes
Zn1 Sb2 2.6450(4) 1_555 2_665 yes
Zn1 Sb2 2.6450(4) 1_555 4_565 yes
Zn1 Sb2 2.6450(4) 1_555 4_665 yes
Zn1 Sb2 2.6450(4) 1_555 4_675 yes
Zn1 Sb2 2.6450(4) 1_555 6_455 yes
Zn1 Sb2 2.6450(4) 1_555 6_555 yes
Zn1 Sb2 2.6450(4) 1_555 6_565 yes
Zn2 Sb1 2.8622(5) 1_555 2_554 yes
Zn2 Sb1 2.8622(5) 1_555 2_654 yes
Zn2 Sb1 2.8622(5) 1_555 2_664 yes
Zn2 Sb1 2.8622(5) 1_555 4_564 yes
Zn2 Sb1 2.8622(5) 1_555 4_664 yes
Zn2 Sb1 2.8622(5) 1_555 4_674 yes
Zn2 Sb1 2.8622(5) 1_555 6_454 yes
Zn2 Sb1 2.8622(5) 1_555 6_554 yes
Zn2 Sb1 2.8622(5) 1_555 6_564 yes
Zn2 Sb2 2.5668(15) 1_555 1_555 yes
Zn2 Sb2 2.5668(15) 1_555 3_665 yes
Zn2 Sb2 2.5668(15) 1_555 5_565 yes
Zn2 Zn2 2.5560(24) 1_555 14_566 yes
Zn2 Zn2 2.5560(24) 1_555 16_556 yes
Zn2 Zn2 2.5560(24) 1_555 18_666 yes
Na Sb2 3.2550(6) 1_555 1_445 yes
Na Sb2 3.2550(6) 1_555 1_545 yes
Na Sb2 3.2550(6) 1_555 1_555 yes
Na Sb2 3.2550(6) 1_555 3_555 yes
Na Sb2 3.2550(6) 1_555 3_655 yes
Na Sb2 3.2550(6) 1_555 3_665 yes
Na Sb2 3.2550(6) 1_555 5_455 yes
Na Sb2 3.2550(6) 1_555 5_555 yes
Na Sb2 3.2550(6) 1_555 5_565 yes
Na Sb2 3.2550(6) 1_555 13_555 yes
Na Sb2 3.2550(6) 1_555 13_565 yes
Na Sb2 3.2550(6) 1_555 13_665 yes
Na Sb2 3.2550(6) 1_555 15_445 yes
Na Sb2 3.2550(6) 1_555 15_455 yes
Na Sb2 3.2550(6) 1_555 15_555 yes
Na Sb2 3.2550(6) 1_555 17_545 yes
Na Sb2 3.2550(6) 1_555 17_555 yes
Na Sb2 3.2550(6) 1_555 17_655 yes
loop_
_pd_meas_intensity_total
_pd_calc_intensity_total
_pd_proc_intensity_bkg_calc
_pd_proc_ls_weight
850.17409 820.68334 820.21928 0.000554621
841.68761 819.62532 819.16064 0.000565728
894.35889 818.56854 818.10325 0.000531671
941.33307 817.51301 817.04711 0.000502848
863.83809 816.45872 815.99221 0.000555593
865.07045 815.40568 814.93855 0.000552463
910.96109 814.35388 813.88614 0.000522306
891.82946 813.30332 812.83497 0.000538262
846.67532 812.25401 811.78503 0.000561292
839.5276 811.20594 810.73634 0.000567754
849.18787 810.1591 809.68888 0.000573787
860.30835 809.11351 808.64267 0.000561017
822.71218 808.06915 807.59769 0.000587774
800.35718 807.02603 806.55394 0.000604416
775.79917 805.98414 805.51143 0.000621125
836.14747 804.9435 804.47015 0.000579036
887.74929 803.90408 803.43011 0.000548248
900.22198 802.8659 802.3913 0.000537678
885.8057 801.82895 801.35372 0.000546201
818.61953 800.79323 800.31737 0.000590852
833.80546 799.75874 799.28225 0.000574317
862.8424 798.72549 798.24835 0.000560188
853.33207 797.69346 797.21569 0.000560289
781.5445 796.66265 796.18425 0.000611908
798.59147 795.63308 795.15404 0.00059943
877.26613 794.60473 794.12505 0.000540299
856.68424 793.57761 793.09728 0.000551038
845.00214 792.5517 792.07074 0.000560209
804.57841 791.52703 791.04542 0.000586571
821.77895 790.50357 790.02132 0.000574261
836.53188 789.48134 788.99844 0.00056681
776.7353 788.46033 787.97678 0.000603802
791.27855 787.44053 786.95633 0.000592904
831.17961 786.42196 785.93711 0.00056674
797.50452 785.4046 784.9191 0.00059017
821.74395 784.38846 783.9023 0.000571061
829.80729 783.37353 782.88672 0.000566461
874.55687 782.35982 781.87236 0.000537007
834.27325 781.34732 780.8592 0.000568298
773.29463 780.33604 779.84726 0.000612075
765.48235 779.32597 778.83653 0.000611006
819.60987 778.3171 777.82701 0.000577095
769.98183 777.30945 776.81869 0.000603592
753.86239 776.30301 775.81159 0.000619992
810.16325 775.29778 774.80569 0.000582012
744.61855 774.29375 773.801 0.000634949
791.11061 773.29094 772.79751 0.000596481
799.87778 772.28932 771.79523 0.000586803
810.21166 771.28891 770.79415 0.000580064
796.92367 770.28971 769.79428 0.000592256
740.04251 769.29171 768.7956 0.000644817
731.08155 768.29491 767.79813 0.000647347
775.15932 767.29931 766.80185 0.000609513
768.95173 766.30491 765.80678 0.000617813
771.92488 765.31171 764.8129 0.000618484
741.12709 764.31971 763.82022 0.000649598
796.77703 763.32891 762.82874 0.000598964
786.49856 762.3393 761.83845 0.000609546
758.64305 761.35089 760.84935 0.000632278
750.03038 760.36367 759.86145 0.000639908
777.49741 759.37765 758.87474 0.000618903
750.70607 758.39282 757.88922 0.00065035
724.38623 757.40919 756.9049 0.000670523
721.96333 756.42674 755.92176 0.000667355
717.28913 755.44548 754.93981 0.000677151
752.80913 754.46542 753.95905 0.000644199
689.36943 753.48654 752.97948 0.00070671
701.92395 752.50885 752.00109 0.000693737
787.62547 751.53235 751.02389 0.000614105
752.39804 750.55703 750.04787 0.000642377
731.14149 749.58289 749.07304 0.000655929
760.12219 748.60995 748.09938 0.000631168
710.52897 747.63818 747.12691 0.000676434
690.07092 746.6676 746.15562 0.000693238
731.28905 745.69819 745.18551 0.000652277
727.62745 744.72997 744.21658 0.000654874
720.12877 743.76293 743.24883 0.000660118
693.19489 742.79706 742.28225 0.000679166
688.30274 741.83238 741.31685 0.00068626
685.09948 740.86887 740.35263 0.000691895
721.00544 739.90653 739.38958 0.000655635
704.82923 738.94537 738.4277 0.000662627
765.10627 737.98539 737.467 0.000612517
732.29581 737.02658 736.50747 0.000639687
664.44455 736.06894 735.54911 0.000710137
644.36001 735.11247 734.59192 0.000726637
673.3175 734.15717 733.63589 0.000697584
694.24522 733.20304 732.68104 0.000678591
690.88009 732.25008 731.72735 0.000677411
676.91883 731.29829 730.77483 0.00069412
754.11403 730.34767 729.82348 0.000624769
713.82281 729.39821 728.87329 0.000652169
690.32345 728.44992 727.92426 0.000685656
664.29086 727.50279 726.9764 0.000704595
671.80217 726.55682 726.02969 0.000702942
690.49363 725.61202 725.08415 0.000687594
686.57751 724.66838 724.13977 0.000689281
684.32571 723.7259 723.19655 0.000685929
699.64939 722.78458 722.25448 0.00067328
694.1153 721.84442 721.31358 0.00067712
696.60676 720.90541 720.37383 0.000677136
638.51584 719.96757 719.43523 0.000746147
676.30022 719.03088 718.4978 0.000702754
709.00883 718.09534 717.56151 0.000666631
693.07194 717.16097 716.62638 0.000682753
692.54424 716.22774 715.6924 0.000685964
700.112 715.29567 714.75957 0.000685605
728.86604 714.36474 713.82789 0.000658195
683.46593 713.43497 712.89736 0.000705744
640.00793 712.50635 711.96798 0.000752372
690.21897 711.57888 711.03975 0.000693
638.81552 710.65256 710.11266 0.000754433
685.62428 709.72739 709.18672 0.000710047
666.15576 708.80336 708.26192 0.000729593
652.63994 707.88048 707.33827 0.000741383
678.94952 706.95874 706.41577 0.000712571
715.94568 706.03815 705.4944 0.00067835
661.06989 705.1187 704.57418 0.000737226
672.26161 704.20039 703.65509 0.000722357
728.91474 703.28322 702.73715 0.000662261
650.69592 702.3672 701.82034 0.000741218
632.87141 701.45231 700.90468 0.000758345
667.52218 700.53856 699.99015 0.000718239
674.05797 699.62595 699.07676 0.000713835
651.34842 698.71448 698.1645 0.00073531
631.06254 697.80415 697.25337 0.000756629
649.3251 696.89494 696.34338 0.0007252
651.70533 695.98688 695.43453 0.000721745
659.41996 695.07995 694.5268 0.000716771
660.85094 694.17415 693.62021 0.000713068
634.41026 693.26948 692.71474 0.000741583
703.90927 692.36594 691.81041 0.000664617
678.48849 691.46353 690.9072 0.000688548
664.19176 690.56225 690.00512 0.000705128
688.736 689.6621 689.10417 0.000687123
672.16145 688.76308 688.20435 0.000699551
643.8119 687.86519 687.30564 0.000726088
631.1339 686.96842 686.40807 0.00074385
580.67973 686.07277 685.51161 0.000803618
639.13335 685.17825 684.61628 0.000734673
683.7967 684.28485 683.72207 0.00069178
679.5391 683.39258 682.82898 0.000690232
658.0151 682.50143 681.93701 0.00071641
639.29779 681.61139 681.04616 0.000731233
654.88196 680.72248 680.15643 0.000715178
626.13892 679.83469 679.26781 0.000753272
609.1973 678.94801 678.38031 0.000775948
611.38179 678.06245 677.49392 0.000772595
607.81877 677.17801 676.60865 0.000775121
670.24802 676.29468 675.7245 0.000695393
644.73536 675.41247 674.84145 0.000729085
640.2403 674.53137 673.95952 0.000743324
655.76634 673.65138 673.0787 0.000719919
669.8998 672.77251 672.19899 0.000706017
667.29515 671.89474 671.32039 0.000711547
631.06004 671.01809 670.44289 0.000748304
589.48934 670.14255 669.56651 0.000816087
661.50946 669.26811 668.69123 0.000722916
626.10833 668.39478 667.81706 0.000769356
676.846 667.52256 666.94399 0.000716019
629.29668 666.65145 666.07203 0.000754912
611.82129 665.78144 665.20117 0.000783012
643.03451 664.91254 664.33141 0.0007503
674.51881 664.04474 663.46275 0.000719223
643.70016 663.17804 662.5952 0.00075311
619.23292 662.31244 661.72874 0.000788937
642.64874 661.44794 660.86338 0.000750872
627.66309 660.58455 659.99913 0.000771715
579.19389 659.72225 659.13596 0.000843926
622.40975 658.86105 658.2739 0.000773893
661.59636 658.00095 657.41293 0.00072721
635.89792 657.14195 656.55306 0.000752693
628.1219 656.28404 655.69428 0.000764885
621.55435 655.42723 654.83659 0.000771102
606.20112 654.57151 653.97999 0.000789201
578.57896 653.71688 653.12449 0.000821647
604.42005 652.86335 652.27008 0.00078789
613.25532 652.01091 651.41675 0.00076378
593.31684 651.15956 650.56452 0.000791963
617.64423 650.3093 649.71337 0.000765459
637.64578 649.46012 648.86331 0.000736852
594.49996 648.61204 648.01434 0.000789615
603.7433 647.76504 647.16645 0.000781639
621.08284 646.91913 646.31965 0.000752203
641.81172 646.07431 645.47393 0.000727527
583.49542 645.23057 644.62929 0.000805655
600.28556 644.38792 643.78573 0.000787297
629.51566 643.54634 642.94326 0.000748202
615.62413 642.70585 642.10187 0.000757964
646.12176 641.86645 641.26155 0.000718291
594.02039 641.02812 640.42232 0.000794073
611.32002 640.19087 639.58416 0.000768678
606.38636 639.3547 638.74708 0.000773105
604.49875 638.51961 637.91108 0.000777348
608.73189 637.6856 637.07615 0.000766577
590.69305 636.85266 636.24229 0.000796566
611.75959 636.0208 635.40951 0.000770534
600.2024 635.19002 634.5778 0.000785394
590.36748 634.3603 633.74716 0.000788357
587.23143 633.53167 632.9176 0.000801653
547.40697 632.7041 632.0891 0.000857308
599.22577 631.8776 631.26168 0.000788262
576.34591 631.05218 630.43532 0.000819335
582.08599 630.22782 629.61003 0.00080886
588.93344 629.40454 628.78581 0.000806354
588.52896 628.58232 627.96265 0.000806493
622.9701 627.76117 627.14056 0.000764086
569.72049 626.94109 626.31953 0.000841469
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436.32222 481.98421 445.43493 0.003200287
457.71109 482.20394 445.44964 0.003043721
461.19496 482.42671 445.46435 0.003009368
478.89765 482.65257 445.47906 0.002898668
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444.81386 483.34884 445.5232 0.003182048
455.45223 483.58748 445.53791 0.003102247
448.88158 483.82944 445.55263 0.003125105
438.49094 484.07475 445.56734 0.003175195
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463.26337 484.57568 445.59677 0.003029024
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475.32982 485.09069 445.6262 0.002935433
472.60598 485.3536 445.64092 0.002901398
446.71293 485.6202 445.65564 0.003063604
479.82346 485.89054 445.67036 0.002883173
455.92091 486.16467 445.68508 0.003066922
441.31355 486.44235 445.6998 0.003155223
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447.25656 487.30009 445.74396 0.003038724
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450.85551 488.19484 445.78812 0.003034504
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463.43023 489.77347 445.86174 0.002968161
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477.30082 490.77601 445.90591 0.00282812
482.46032 491.12008 445.92064 0.002823002
494.13787 491.4692 445.93537 0.002778484
512.02953 491.82341 445.95009 0.002670767
480.95485 492.18284 445.96482 0.002810229
456.16153 492.54758 445.97955 0.002973081
475.90384 492.91772 445.99427 0.002865659
498.25155 493.29335 446.009 0.002759496
452.53462 493.67458 446.02373 0.003051991
451.38524 494.0615 446.03846 0.003056114
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465.70593 496.93815 446.14157 0.002933903
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488.52052 498.71076 446.2005 0.002875026
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466.52915 499.64659 446.22997 0.002976464
472.38504 500.12558 446.2447 0.002959902
509.22826 500.62291 446.25944 0.002756686
479.0096 501.1172 446.27417 0.002970747
472.94455 501.61939 446.28891 0.002962452
501.73768 502.12963 446.30364 0.002773758
482.21895 502.64807 446.31838 0.002892409
506.48005 503.1749 446.33311 0.002772068
498.40956 503.71029 446.34785 0.002815279
467.57785 504.25441 446.36258 0.003015449
502.10326 504.80746 446.37732 0.002755353
512.88097 505.36961 446.39206 0.002678754
482.04131 505.94107 446.40679 0.002869565
463.41453 506.52202 446.42153 0.003009697
481.11976 507.11198 446.43627 0.002906585
484.87372 507.71253 446.451 0.002841139
485.38848 508.32322 446.46574 0.002787426
498.81892 508.94426 446.48048 0.002720953
497.0532 509.57588 446.49522 0.002744626
486.17446 510.2183 446.50996 0.002796848
491.34516 510.8718 446.52469 0.002790406
488.66629 511.53659 446.53943 0.002797607
479.40718 512.21294 446.55417 0.002823602
473.58281 512.90111 446.56891 0.002855664
481.48223 513.60138 446.58365 0.002825837
499.66419 514.31401 446.59839 0.002739792
500.54006 515.03932 446.61313 0.00275776
485.70819 515.77667 446.62787 0.002810162
493.48916 516.52816 446.64261 0.002739459
491.94335 517.29321 446.65735 0.002773107
485.5991 518.07215 446.67209 0.002828934
494.33318 518.8653 446.68683 0.002798781
528.90806 519.67302 446.70157 0.00259983
510.9556 520.49566 446.71631 0.002652844
500.70594 521.33358 446.73105 0.002702123
524.0724 522.18714 446.74579 0.002607155
514.61415 523.05676 446.76053 0.002676307
498.89717 523.94279 446.77527 0.002764347
508.00905 524.84568 446.79001 0.002697683
520.59823 525.76475 446.80476 0.002622427
504.18516 526.7026 446.8195 0.00270578
511.09304 527.6586 446.83424 0.002699781
541.68113 528.63324 446.84898 0.00256078
524.02969 529.62699 446.86372 0.002670768
510.11373 530.64032 446.87846 0.002711897
520.72114 531.67377 446.89321 0.002654043
517.75195 532.72787 446.90795 0.002657339
527.16744 533.80317 446.92269 0.002635173
528.91057 534.90022 446.93743 0.002663473
500.70833 536.01962 446.95217 0.002806292
475.85383 537.16196 446.96692 0.002921411
514.2499 538.32789 446.98166 0.002704862
529.42319 539.51659 446.9964 0.002655428
543.48385 540.73158 447.01114 0.002596319
549.12025 541.97218 447.02588 0.002585388
539.7149 543.23906 447.04063 0.002605443
519.06834 544.53299 447.05537 0.00268878
524.8976 545.85471 447.07011 0.002666406
537.32887 547.2264 447.08485 0.002625714
516.80705 548.60622 447.0996 0.002725028
535.16524 550.01631 447.11434 0.002615265
550.38479 551.45758 447.12908 0.00249637
538.56701 552.93096 447.14382 0.002565933
565.07712 554.43737 447.15857 0.002457531
565.12176 555.97596 447.17331 0.002466322
551.08058 557.55144 447.18805 0.002521741
536.12363 559.16304 447.20279 0.002565754
566.45111 560.81188 447.21753 0.002384778
545.28025 562.4991 447.23228 0.002485237
552.88253 564.22591 447.24702 0.002480639
572.6349 565.99352 447.26176 0.002389756
589.69347 567.80323 447.2765 0.002314831
601.00245 569.6564 447.29124 0.002269163
555.90146 571.55443 447.30599 0.00244827
566.27373 573.49872 447.32073 0.002385214
561.21081 575.49082 447.33547 0.002433435
576.28955 577.53227 447.35021 0.002377814
617.38048 579.62219 447.36495 0.002219656
623.96582 581.7673 447.37969 0.002171579
581.15153 583.96687 447.39444 0.002318815
594.53905 586.2228 447.40918 0.002284192
608.11641 588.53696 447.42392 0.002257431
569.3913 590.91138 447.43866 0.002412119
583.65044 593.3482 447.4534 0.002349767
614.74137 595.84956 447.46814 0.002185136
614.39126 598.41777 447.48288 0.002204774
575.12931 601.05522 447.49762 0.002381839
603.25608 603.76439 447.51236 0.002288404
611.86508 606.54789 447.5271 0.002246495
600.79482 609.40493 447.54184 0.002288978
586.7191 612.34531 447.55658 0.002328554
622.18073 615.36856 447.57132 0.00219398
629.50745 618.47785 447.58606 0.002186119
623.08843 621.67641 447.6008 0.002236697
618.54694 624.9677 447.61554 0.002262751
616.01229 628.35531 447.63028 0.002229853
647.36942 631.84297 447.64502 0.002124954
634.33025 635.43468 447.65976 0.002174449
627.1795 639.13455 447.6745 0.002230126
624.43567 642.94694 447.68924 0.00224195
654.89248 646.87642 447.70397 0.002142946
654.50656 650.92781 447.71871 0.00212962
653.11724 655.10101 447.73345 0.002133379
642.57459 659.41142 447.74819 0.002197161
656.40269 663.85971 447.76292 0.002163151
667.86991 668.45175 447.77766 0.002122587
653.97774 673.19366 447.7924 0.002144472
661.40896 678.09204 447.80713 0.002111304
670.32662 683.15381 447.82187 0.002082981
666.59151 688.3862 447.83661 0.002096595
660.04315 693.79687 447.85134 0.002117483
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694.39754 705.18592 447.88081 0.001985711
678.22645 711.18194 447.89555 0.002035374
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762.67753 752.01075 447.98395 0.001760799
752.61426 759.73685 447.99869 0.001802669
764.85642 767.76175 448.01342 0.001794666
763.6589 776.1007 448.02815 0.001801776
742.39962 784.77007 448.04288 0.00183652
779.37878 793.78722 448.05762 0.00172827
781.45466 803.17074 448.07235 0.001736215
785.52553 812.94037 448.08708 0.001741486
819.75715 823.10451 448.10181 0.001680801
827.08526 833.71052 448.11654 0.001650002
779.75831 844.77025 448.13127 0.001722816
829.28648 856.30954 448.146 0.001628125
817.62473 868.35574 448.16073 0.001678977
818.04802 880.93863 448.17546 0.001684362
857.9488 894.08977 448.19019 0.001597276
878.7371 907.84321 448.20492 0.001544447
876.87621 922.23548 448.21964 0.001546652
894.92617 937.30592 448.23437 0.001520008
941.83833 953.09684 448.2491 0.001459156
946.56295 969.65377 448.26383 0.001448256
942.33997 987.00439 448.27855 0.001461838
976.96931 1005.24418 448.29328 0.001402234
979.46611 1024.40996 448.308 0.00139071
1008.21337 1044.56413 448.32273 0.001357084
991.27441 1065.77408 448.33745 0.001394878
1028.65257 1088.11326 448.35218 0.001367019
1064.67125 1111.66106 448.3669 0.00130812
1102.79985 1136.50437 448.38163 0.00125707
1108.49498 1162.73712 448.39635 0.001240392
1139.72079 1190.46224 448.41107 0.001220395
1186.63003 1219.79144 448.42579 0.001184311
1181.76335 1250.84716 448.44052 0.001187657
1221.44728 1283.76262 448.45524 0.001144023
1232.08521 1318.63968 448.46996 0.001130036
1259.47935 1355.72269 448.48468 0.001105068
1256.60201 1395.14428 448.4994 0.001115686
1335.2775 1437.09492 448.51412 0.001064821
1366.77013 1481.78233 448.52884 0.001036205
1421.0029 1529.43385 448.54355 0.0009864
1509.8007 1580.29777 448.55827 0.00091898
1571.32019 1634.64459 448.57299 0.000887733
1597.24984 1692.77037 448.58771 0.000875171
1637.35107 1754.99654 448.60242 0.000852925
1703.17862 1821.67308 448.61714 0.000812877
1798.2029 1893.17991 448.63185 0.000771913
1884.68058 1969.83188 448.64657 0.000725201
1937.35865 2052.26193 448.66128 0.000709614
2017.02335 2140.85827 448.676 0.000684351
2137.01813 2236.13619 448.69071 0.000643266
2218.78159 2338.64602 448.70542 0.00061433
2295.62527 2448.97157 448.72014 0.000590204
2459.07519 2567.72859 448.73485 0.000548236
2508.33065 2695.56001 448.74956 0.000544324
2607.11024 2833.12748 448.76427 0.000529813
2796.42407 2981.10191 448.77898 0.000490145
2889.11057 3140.144 448.79369 0.00046892
3078.94804 3310.88682 448.8084 0.000437566
3249.88134 3493.90049 448.82311 0.000419325
3437.9505 3689.40501 448.83781 0.000400109
3629.33198 3898.19241 448.85252 0.000378968
3843.29876 4120.12112 448.86723 0.000353116
4111.74937 4354.97365 448.88193 0.000328753
4273.24846 4602.12578 448.89664 0.000317237
4518.31471 4860.42953 448.91134 0.000302527
4815.93429 5128.08846 448.92605 0.000285671
5230.66509 5402.5254 448.94075 0.000262275
5438.26736 5680.26773 448.95545 0.000251402
5607.5849 5956.86874 448.97016 0.000242607
5937.11574 6226.88217 448.98486 0.000228145
6221.98485 6483.937 448.99956 0.000220816
6501.84766 6720.6573 449.01426 0.000213129
6693.02416 6930.1276 449.02896 0.000204924
6929.60308 7104.61505 449.04366 0.000198053
7086.49469 7237.33114 449.05836 0.000193087
7191.98086 7322.73492 449.07306 0.000191333
7259.90444 7357.0822 449.08775 0.000192338
7173.41701 7338.83421 449.10245 0.000195052
7117.32471 7268.81905 449.11714 0.000194901
7048.52735 7150.14518 449.13184 0.000195909
6832.29548 6987.86054 449.14653 0.000201598
6505.25819 6788.43933 449.16123 0.000214901
6383.916 6559.18193 449.17592 0.000221038
6063.47345 6307.62262 449.19061 0.000232372
5706.90077 6041.35865 449.2053 0.000245652
5567.83629 5766.34861 449.22 0.000251263
5259.67153 5488.65218 449.23469 0.000265177
5035.27003 5213.01946 449.24938 0.000281011
4736.20991 4943.21458 449.26406 0.000298926
4507.05873 4682.07095 449.27875 0.000311832
4253.68299 4431.61248 449.29344 0.000328205
4023.55263 4193.16766 449.30813 0.000345513
3829.87554 3967.50909 449.32281 0.000364227
3610.33293 3754.96406 449.3375 0.000388613
3363.51961 3555.52757 449.35218 0.000416035
3226.43516 3368.94612 449.36686 0.000426731
3064.71993 3194.9982 449.38155 0.000449124
2864.39135 3032.71448 449.39623 0.000479035
2714.86488 2881.69914 449.41091 0.000506285
2670.62836 2741.29563 449.42559 0.000516551
2526.70687 2610.83543 449.44027 0.000542012
2403.55741 2489.65228 449.45495 0.000565841
2305.02832 2377.09763 449.46963 0.000583741
2246.87041 2272.54737 449.48431 0.000601284
2138.80681 2175.40686 449.49898 0.000640715
2005.1607 2085.11642 449.51366 0.000684296
1954.60252 2001.15056 449.52833 0.000694629
1858.96818 1923.01893 449.54301 0.000722846
1812.38653 1850.26663 449.55768 0.000742838
1727.17502 1782.5524 449.57235 0.000791157
1721.47524 1719.3215 449.58702 0.000801836
1636.11046 1660.30096 449.60169 0.000834441
1566.39936 1605.16067 449.61636 0.000861154
1513.56788 1553.59832 449.63103 0.000897119
1526.46797 1505.33662 449.6457 0.000892316
1441.89657 1460.1204 449.66037 0.000947515
1416.20339 1417.71716 449.67504 0.000970025
1362.43619 1377.91334 449.6897 0.00100527
1314.90617 1340.51425 449.70437 0.001040162
1304.76219 1305.34146 449.71903 0.001044429
1283.85709 1272.23205 449.73369 0.001059436
1215.31046 1241.07437 449.74836 0.001130451
1175.75812 1211.65503 449.76302 0.001177391
1168.60186 1183.88883 449.77768 0.001179317
1150.22318 1157.66175 449.79234 0.001196928
1133.16495 1132.86882 449.80699 0.001212602
1118.0793 1109.41395 449.82165 0.001230667
1087.5209 1087.20985 449.83631 0.001292597
1068.33873 1066.17557 449.85097 0.001308071
1026.15996 1046.23666 449.86562 0.001344978
987.3777 1027.32511 449.88027 0.001394962
994.71036 1009.37802 449.89493 0.001391514
960.2317 992.34085 449.90958 0.001449714
935.19495 976.15414 449.92423 0.001516181
960.16462 960.79093 449.93888 0.001462908
920.80242 946.16693 449.95353 0.001521134
915.17808 932.26034 449.96818 0.001531838
928.75297 919.03263 449.98283 0.00151157
931.88958 906.44724 449.99747 0.001519246
890.26819 894.47299 450.01212 0.001592831
847.70655 883.07861 450.02676 0.001644359
852.14779 872.23621 450.04141 0.001629129
860.96119 861.91977 450.05605 0.001617278
822.82496 852.10551 450.07069 0.001690132
851.38356 842.77154 450.08533 0.001651501
816.9989 833.89767 450.09997 0.001702098
818.41998 825.4768 450.11461 0.00168198
808.18136 817.46881 450.12925 0.001694647
785.4248 809.87018 450.14388 0.001736126
831.1244 802.66698 450.15852 0.001645673
828.4012 795.84639 450.17315 0.001661319
785.46009 789.39569 450.18779 0.001742784
766.4254 783.30584 450.20242 0.001764099
789.93834 777.57042 450.21705 0.001708323
776.57091 772.17967 450.23168 0.001748415
797.06744 767.1271 450.24631 0.001720014
786.38976 762.40711 450.26094 0.001749873
757.69926 758.01529 450.27556 0.001789366
771.33043 753.94818 450.29019 0.001743903
752.64855 750.21047 450.30482 0.001812457
762.21605 746.7865 450.31944 0.0018025
729.14469 743.683 450.33406 0.001889326
738.23314 740.9005 450.34868 0.001853937
768.1483 738.44026 450.36331 0.001765688
777.57783 736.30104 450.37793 0.001745045
764.40744 734.49246 450.39254 0.001785142
757.6393 733.03651 450.40716 0.001790951
746.76477 731.89402 450.42178 0.001841302
763.34462 731.09116 450.43639 0.001796221
783.9877 730.63272 450.45101 0.001738688
738.07824 730.52336 450.46562 0.00183681
762.18007 730.77234 450.48023 0.001789705
739.15892 731.37361 450.49484 0.0018608
750.97845 732.33454 450.50945 0.001846681
761.51168 733.65596 450.52406 0.001815079
752.62582 735.33604 450.53867 0.00181354
761.99682 737.36298 450.55327 0.001802699
723.24799 739.7407 450.56788 0.00192471
740.19644 742.44805 450.58248 0.001903769
762.37562 745.46375 450.59709 0.001840273
758.69594 748.75854 450.61169 0.001832838
777.5829 752.29403 450.62629 0.001780538
754.29223 756.02123 450.64089 0.001857083
770.32909 759.87959 450.65549 0.001826974
728.23395 763.79938 450.67008 0.001942192
751.54125 767.68854 450.68468 0.001864944
758.34929 771.45311 450.69927 0.001848234
727.09428 774.98513 450.71387 0.001930411
728.62409 778.16903 450.72846 0.001945789
743.94644 780.87915 450.74305 0.001905178
733.17553 783.00934 450.75764 0.00192406
730.20981 784.44089 450.77223 0.001906351
711.21983 785.07452 450.78682 0.001943268
718.34055 784.82993 450.8014 0.001941799
718.84996 783.65099 450.81599 0.001942777
658.65062 781.50969 450.83057 0.002125944
633.8611 778.41035 450.84515 0.002181961
651.35393 774.37968 450.85973 0.002095572
692.30833 769.47912 450.87431 0.001974504
672.91566 763.79063 450.88889 0.002040216
632.05237 757.41374 450.90347 0.002166262
647.02154 750.46591 450.91805 0.002122006
655.4286 743.05042 450.93262 0.002077436
599.77661 735.28888 450.94719 0.002250945
628.01648 727.29192 450.96177 0.002157102
623.82782 719.16148 450.97634 0.002190629
602.64649 710.98854 450.99091 0.002276747
598.26126 702.85189 451.00547 0.002298019
596.40336 694.81767 451.02004 0.002263209
595.71262 686.94144 451.03461 0.002261701
593.93055 679.26196 451.04917 0.00230749
620.73856 671.81309 451.06374 0.002219259
625.73522 664.61778 451.0783 0.002190503
635.20575 657.69126 451.09286 0.002146632
572.63862 651.04869 451.10742 0.002355752
585.8088 644.68058 451.12198 0.002316899
592.0407 638.59295 451.13653 0.002321993
585.81643 632.7819 451.15109 0.002358133
557.55614 627.24101 451.16564 0.002480453
563.56075 621.9621 451.18019 0.002426155
586.04858 616.93567 451.19474 0.002332234
536.88665 612.15273 451.20929 0.00252625
573.42352 607.59966 451.22384 0.002403634
570.15211 603.26677 451.23839 0.002412902
560.39928 599.14299 451.25294 0.002482302
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172.53135 155.60397 151.44675 0
