#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104464.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_8104464
loop_
_publ_author_name
'Balic-Zunic, T.'
'Bente, K.'
'Edenharter, A.'
_publ_section_title
;
 Crystal structure of thallium lead antimony sulfide
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              145
_journal_page_last               146
_journal_volume                  202
_journal_year                    1992
_chemical_formula_sum            'Pb0.333 S Sb0.333 Tl0.333'
_chemical_name_systematic        '(Tl0.333 Pb0.333 Sb0.333) S'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.112
_cell_length_b                   11.69
_cell_length_c                   4.338
_cell_volume                     208.525
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Balic-Zunic_ZEKRDZ_1992_1502.cif
_cod_data_source_block           Pb0.333S1Sb0.333Tl0.333
_cod_original_cell_volume        208.5245
_cod_original_formula_sum        'Pb0.333 S1 Sb0.333 Tl0.333'
_cod_database_code               8104464
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
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
Pb1 Pb+2 0.5 0.37964 0.25 0.333 0.0
S1 S-2 0.5 0.14688 0.25 1 0.0
Sb1 Sb+3 0.5 0.37964 0.25 0.333 0.0
Tl1 Tl+1 0.5 0.37964 0.25 0.333 0.0
