data_global
_amcsd_formula_title 'Se2 Tl2'
loop_
_publ_author_name
'Ketelaar J'
't'Hart W'
'Polder D'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 101 
_journal_year 1939
_journal_page_first 396
_journal_page_last 405
_publ_section_title
;
 The Crystal Structure of Tl Se, Thallous Thallic or Thallosic Selenide
 _cod_database_code 1010454
;
_database_code_amcsd 0017374
_chemical_formula_sum 'Tl Se'
_cell_length_a 8.02
_cell_length_b 8.02
_cell_length_c 7.00
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 450.243
_exptl_crystal_density_diffrn      8.360
_symmetry_space_group_name_H-M 'I 4/m c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,1/2+z'
  '1/2-y,1/2-x,+z'
  'y,x,1/2-z'
  '1/2+y,1/2+x,-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,1/2+z'
  '1/2+y,1/2+x,+z'
  '-y,-x,1/2-z'
  '1/2-y,1/2-x,-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Tl1   0.00000   0.00000   0.25000
Tl2   0.00000   0.50000   0.25000
Se1   0.17900   0.67900   0.00000