# CIF generated by HEAS from Alexandria entry agm045720397 data_agm045720397 _cell_length_a 3.96189 _cell_length_b 3.96189 _cell_length_c 15.82589 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 248.41230 _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 Hf1 Hf 0.00000 0.00000 0.24958 1.00000 Hf2 Hf 0.00000 0.00000 0.50000 1.00000 Hf3 Hf 0.00000 0.00000 0.75042 1.00000 Sc1 Sc 0.00000 0.00000 0.00000 1.00000 Ir1 Ir 0.50000 0.50000 0.00000 1.00000 Ir2 Ir 0.50000 0.50000 0.24933 1.00000 Ir3 Ir 0.50000 0.50000 0.50000 1.00000 Ir4 Ir 0.50000 0.50000 0.75067 1.00000 Ir5 Ir 0.50000 0.00000 0.12473 1.00000 Ir6 Ir 0.50000 0.00000 0.37470 1.00000 Ir7 Ir 0.50000 0.00000 0.62530 1.00000 Ir8 Ir 0.50000 0.00000 0.87527 1.00000 Ir9 Ir 0.00000 0.50000 0.12473 1.00000 Ir10 Ir 0.00000 0.50000 0.37470 1.00000 Ir11 Ir 0.00000 0.50000 0.62530 1.00000 Ir12 Ir 0.00000 0.50000 0.87527 1.00000