#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/66/1526697.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_1526697
loop_
_publ_author_name
'Stoewe, K.'
_publ_section_title
;
 Die Kristallstruktur von Pr Te2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              803
_journal_page_last               811
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Pr Te2'
_space_group_IT_number           75
_symmetry_space_group_name_Hall  'P 4'
_symmetry_space_group_name_H-M   'P 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.968
_cell_length_b                   8.968
_cell_length_c                   18.119
_cell_volume                     1457.221
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Stoewe_ZAACAB_2000_797.cif
_cod_data_source_block           Pr1Te2
_cod_original_formula_sum        'Pr1 Te2'
_cod_database_code               1526697
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,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_U_iso_or_equiv
Te18 Te-1 0.2502 0.2501 0.683 1 0.0
Pr8 Pr+3 0.2488 0.2513 0.8629 1 0.0
Te6 Te-1 0.5131 0.2791 0.4991 0.258 0.0
Te4 Te-1 0.5095 0.2605 0.9989 0.488 0.0
Pr2 Pr+3 0 0 0.6365 1 0.0
Te1 Te-1 0.2599 0.011 0.9974 0.512 0.0
Pr1 Pr+3 0 0 0.1355 1 0.0
Te12 Te-1 0 0 0.8154 1 0.0
Te7 Te-1 0.5062 0.2401 0.4991 0.386 0.0
Pr7 Pr+3 0.2497 0.2505 0.3633 1 0.0
Te8 Te-1 0.2554 0.017 0.4985 0.352 0.0
Te11 Te-1 0 0 0.3153 1 0.0
Te15 Te-1 0 0.5 0.3153 1 0.0
Pr6 Pr+3 0 0.5 0.6366 1 0.0
Pr3 Pr+3 0.5 0.5 0.1367 1 0.0
Te13 Te-1 0.5 0.5 0.3171 1 0.0
Te14 Te-1 0.5 0.5 0.8143 1 0.0
Te5 Te-1 0.4788 0.2478 0.4985 0.352 0.0
Te3 Te-1 0.4876 0.2397 0.9984 0.512 0.0
Te9 Te-1 0.2219 0.9848 0.4995 0.258 0.0
Te2 Te-1 0.2382 0.9912 0.9981 0.488 0.0
Te16 Te-1 0 0.5 0.8155 1 0.0
Pr5 Pr+3 0 0.5 0.136 1 0.0
Te10 Te-1 0.2579 0.9931 0.4983 0.386 0.0
Pr4 Pr+3 0.5 0.5 0.6362 1 0.0
Te17 Te-1 0.2495 0.2504 0.1829 1 0.0
