# CIF generated by HEAS from Alexandria entry agm005199827 data_agm005199827 _cell_length_a 4.12037 _cell_length_b 4.12026 _cell_length_c 5.81721 _cell_angle_alpha 89.99579 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 98.75902 _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 Pr1 Pr 0.50000 0.39145 0.09253 1.00000 Th1 Th 0.00000 0.89157 0.59238 1.00000 P1 P 0.00000 0.89145 0.09228 1.00000 S1 S 0.50000 0.39160 0.59258 1.00000