# generated using pymatgen data_Hf8Ni2Ir2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56391875 _cell_length_b 8.56391931 _cell_length_c 8.56391879 _cell_angle_alpha 120.12101112 _cell_angle_beta 119.92686696 _cell_angle_gamma 89.95862574 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Ni2Ir2N _chemical_formula_sum 'Hf16 Ni4 Ir4 N2' _cell_volume 443.95994049 _cell_formula_units_Z 2 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 0.93775944 0.18775944 0.75000000 1.0 Hf Hf1 1 0.32007180 0.57007180 0.75000000 1.0 Hf Hf2 1 0.93353486 0.56742453 0.75680611 1.0 Hf Hf3 1 0.31061843 0.17672875 0.74319389 1.0 Hf Hf4 1 0.93353486 0.17672875 0.36611032 1.0 Hf Hf5 1 0.31061843 0.56742453 0.13388968 1.0 Hf Hf6 1 0.05851676 0.80851676 0.25000000 1.0 Hf Hf7 1 0.68889061 0.43889061 0.25000000 1.0 Hf Hf8 1 0.05962561 0.43841803 0.24539221 1.0 Hf Hf9 1 0.69302582 0.81423340 0.25460779 1.0 Hf Hf10 1 0.05962561 0.81423340 0.62120758 1.0 Hf Hf11 1 0.69302582 0.43841803 0.87879242 1.0 Hf Hf12 1 0.48544003 0.01468086 0.02924083 1.0 Hf Hf13 1 0.48544003 0.45619821 0.47075917 1.0 Hf Hf14 1 0.48459441 0.01476496 0.46983046 1.0 Hf Hf15 1 0.04493450 0.01476496 0.03016954 1.0 Ni Ni16 1 0.27320502 0.23221545 0.45901043 1.0 Ni Ni17 1 0.27320502 0.81419458 0.04098957 1.0 Ni Ni18 1 0.27592536 0.22908573 0.04683964 1.0 Ni Ni19 1 0.68224509 0.22908573 0.45316036 1.0 Ir Ir20 1 0.70845371 0.78566153 0.57720882 1.0 Ir Ir21 1 0.70845371 0.13124489 0.92279118 1.0 Ir Ir22 1 0.70656969 0.79022873 0.91634096 1.0 Ir Ir23 1 0.37388877 0.79022873 0.58365904 1.0 N N24 1 0.99939981 0.49974309 0.00034328 1.0 N N25 1 0.99939981 0.99905553 0.49965672 1.0