# CIF generated by HEAS from Alexandria entry agm004598549 data_agm004598549 _cell_length_a 3.99736 _cell_length_b 8.41009 _cell_length_c 9.28023 _cell_angle_alpha 106.22089 _cell_angle_beta 102.43723 _cell_angle_gamma 90.00000 _cell_volume 291.93183 _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 0.33314 0.87670 0.66628 1.00000 Th2 Th 0.67859 0.55723 0.35719 1.00000 Th3 Th 0.66686 0.12330 0.33372 1.00000 Th4 Th 0.01880 0.25136 0.03760 1.00000 Th5 Th 0.98120 0.74864 0.96240 1.00000 Th6 Th 0.32141 0.44277 0.64281 1.00000 Si1 Si 0.50000 0.00000 0.00000 1.00000 C1 C 0.82827 0.66164 0.65655 1.00000 C2 C 0.17173 0.33836 0.34345 1.00000 Se1 Se 0.50000 0.50000 0.00000 1.00000 Se2 Se 0.83854 0.16727 0.67708 1.00000 Se3 Se 0.16146 0.83273 0.32292 1.00000