# CIF generated by HEAS from Alexandria entry agm005686533 data_agm005686533 _cell_length_a 3.75391 _cell_length_b 4.19660 _cell_length_c 11.69396 _cell_angle_alpha 90.00001 _cell_angle_beta 108.44224 _cell_angle_gamma 90.00000 _cell_volume 174.76173 _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 0.59750 0.25000 0.34532 1.00000 Th2 Th 0.40250 0.75000 0.65468 1.00000 S1 S 0.85605 0.25000 0.60754 1.00000 S2 S 0.14395 0.75000 0.39246 1.00000 Cl1 Cl 0.90820 0.25000 0.15313 1.00000 Cl2 Cl 0.09180 0.75000 0.84687 1.00000