# generated using pymatgen data_Hf3SnIr2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62231202 _cell_length_b 8.62348630 _cell_length_c 8.62198330 _cell_angle_alpha 59.99504104 _cell_angle_beta 59.99241810 _cell_angle_gamma 59.99544278 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3SnIr2N _chemical_formula_sum 'Hf12 Sn4 Ir8 N4' _cell_volume 453.25506613 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.81397564 0.81395795 0.18603106 1.0 Hf Hf1 1 0.18603620 0.18604728 0.81397732 1.0 Hf Hf2 1 0.81394779 0.18603416 0.81397397 1.0 Hf Hf3 1 0.18602545 0.81396281 0.18604258 1.0 Hf Hf4 1 0.18602810 0.81393925 0.81398313 1.0 Hf Hf5 1 0.81397002 0.18603270 0.18603846 1.0 Hf Hf6 1 0.43602948 0.43604633 0.06396165 1.0 Hf Hf7 1 0.06395794 0.06395028 0.43602605 1.0 Hf Hf8 1 0.43605721 0.06396164 0.43602862 1.0 Hf Hf9 1 0.06396850 0.43604387 0.06395093 1.0 Hf Hf10 1 0.06396510 0.43606641 0.43601999 1.0 Hf Hf11 1 0.43603577 0.06396409 0.06395407 1.0 Sn Sn12 1 0.12491190 0.62503052 0.62502856 1.0 Sn Sn13 1 0.62503341 0.12490263 0.62503156 1.0 Sn Sn14 1 0.62502774 0.62502899 0.12491471 1.0 Sn Sn15 1 0.62503106 0.62502799 0.62503036 1.0 Ir Ir16 1 0.77452181 0.40849980 0.40847910 1.0 Ir Ir17 1 0.40849855 0.77448700 0.40850012 1.0 Ir Ir18 1 0.40848061 0.40849394 0.77453274 1.0 Ir Ir19 1 0.40849593 0.40851294 0.40849668 1.0 Ir Ir20 1 0.47550688 0.84149040 0.84151357 1.0 Ir Ir21 1 0.84148781 0.47554473 0.84149470 1.0 Ir Ir22 1 0.84151292 0.84149661 0.47549420 1.0 Ir Ir23 1 0.84149451 0.84147360 0.84149486 1.0 N N24 1 0.62500148 0.12500018 0.12499866 1.0 N N25 1 0.12500031 0.62500098 0.12499885 1.0 N N26 1 0.12499907 0.12499979 0.62500149 1.0 N N27 1 0.12499980 0.12499913 0.12499903 1.0