# CIF generated by HEAS from Alexandria entry agm005200501 data_agm005200501 _cell_length_a 4.06880 _cell_length_b 4.06888 _cell_length_c 8.38087 _cell_angle_alpha 92.11949 _cell_angle_beta 104.15679 _cell_angle_gamma 114.83136 _cell_volume 120.54926 _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 0.50852 0.15782 0.68154 1.00000 Th1 Th 0.09617 0.93356 0.04509 1.00000 Ni1 Ni 0.31493 0.55032 0.88066 1.00000 I1 I 0.95828 0.38910 0.36237 1.00000