#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/77/1537727.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_1537727
loop_
_publ_author_name
'Banys, J.'
'Guseinov, G.'
'Wondre, F.R.'
_publ_section_title
;
 Powder diffraction study of Tl Ga Te2, Tl In Te2 and Tl In Se2
;
_journal_name_full               'Materials Letters'
_journal_page_first              269
_journal_page_last               274
_journal_volume                  9
_journal_year                    1990
_chemical_formula_sum            'In Se2 Tl'
_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                   8.064
_cell_length_b                   8.064
_cell_length_c                   6.833
_cell_volume                     444.337
_citation_journal_id_ASTM        MLETDJ
_cod_data_source_file            Banys_MLETDJ_1990_281.cif
_cod_data_source_block           In1Se2Tl1
_cod_original_formula_sum        'In1 Se2 Tl1'
_cod_database_code               1537727
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 0 0.5 0.25 1 0.0
Se1 Se 0.174 0.674 0 1 0.0
Tl1 Tl 0 0 0.25 1 0.0
