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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/78/1527852.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_1527852
loop_
_publ_author_name
'Mueller, D.'
'Eulenberger, G.'
'Hahn, H.'
_publ_section_title
;
 Ueber ternaere Thalliumchalkogenide mit Thalliumselenidstruktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              207
_journal_page_last               220
_journal_volume                  398
_journal_year                    1973
_chemical_formula_sum            'In Se2 Tl'
_chemical_name_systematic        'Tl In Se2'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.075
_cell_length_b                   8.075
_cell_length_c                   6.847
_cell_volume                     446.463
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mueller_ZAACAB_1973_1931.cif
_cod_data_source_block           In1Se2Tl1
_cod_original_cell_volume        446.4629
_cod_original_formula_sum        'In1 Se2 Tl1'
_cod_database_code               1527852
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,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_U_iso_or_equiv
In1 In+3 0 0.5 0.25 1 0.0
Tl1 Tl+1 0 0 0.25 1 0.0
Se1 Se-2 0.1714 0.6714 0 1 0.0
