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