# CIF generated by HEAS from Alexandria entry agm004635993 data_agm004635993 _cell_length_a 7.16949 _cell_length_b 7.16949 _cell_length_c 8.25566 _cell_angle_alpha 98.45177 _cell_angle_beta 98.45177 _cell_angle_gamma 119.81846 _cell_volume 351.99719 _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 Th1 Th 0.33393 0.66607 0.00000 1.00000 Th2 Th 0.66607 0.33393 0.00000 1.00000 Tl1 Tl 0.17249 0.82751 0.50000 1.00000 Tl2 Tl 0.82751 0.17249 0.50000 1.00000 Tl3 Tl 0.50000 0.50000 0.50000 1.00000 Ni1 Ni 0.00000 0.00000 0.00000 1.00000 Se1 Se 0.93395 0.62035 0.80184 1.00000 Se2 Se 0.74813 0.74813 0.20572 1.00000 Se3 Se 0.06605 0.37965 0.19816 1.00000 Se4 Se 0.62035 0.93395 0.80184 1.00000 Se5 Se 0.25187 0.25187 0.79428 1.00000 Se6 Se 0.37965 0.06605 0.19816 1.00000