# CIF generated by HEAS from Alexandria entry agm002124841 data_agm002124841 _cell_length_a 2.97571 _cell_length_b 3.71419 _cell_length_c 4.84224 _cell_angle_alpha 90.00000 _cell_angle_beta 89.30311 _cell_angle_gamma 90.00000 _cell_volume 53.51416 _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 P1 P 0.97134 0.00000 0.39739 1.00000 Ir1 Ir 0.93552 0.50000 0.66788 1.00000 S1 S 0.87503 0.00000 0.97430 1.00000