# CIF generated by HEAS from Alexandria entry agm005696936 data_agm005696936 _cell_length_a 3.83019 _cell_length_b 3.83018 _cell_length_c 21.34515 _cell_angle_alpha 100.23223 _cell_angle_beta 100.23211 _cell_angle_gamma 58.85300 _cell_volume 262.36588 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tl1 Tl 0.86793 0.42546 0.13239 1.00000 Tl2 Tl 0.57454 0.13207 0.36761 1.00000 Tl3 Tl 0.13207 0.57454 0.86761 1.00000 Tl4 Tl 0.42546 0.86793 0.63239 1.00000 H1 H 0.03289 0.48711 0.51769 1.00000 H2 H 0.51289 0.96711 0.98231 1.00000 H3 H 0.96711 0.51289 0.48231 1.00000 H4 H 0.48711 0.03289 0.01769 1.00000 H5 H 0.52962 0.47038 0.25000 1.00000 H6 H 0.47038 0.52962 0.75000 1.00000 Se1 Se 0.13282 0.86718 0.25000 1.00000 Se2 Se 0.86718 0.13282 0.75000 1.00000