# generated using pymatgen data_Hf2Fe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51577526 _cell_length_b 8.51581277 _cell_length_c 8.51574975 _cell_angle_alpha 60.00024070 _cell_angle_beta 60.00009504 _cell_angle_gamma 60.00027877 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Fe _chemical_formula_sum 'Hf16 Fe8' _cell_volume 436.67688683 _cell_formula_units_Z 8 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 0.50000000 0.50000000 0.50000000 1.0 Hf Hf1 1 0.50000000 0.50000000 0.00000000 1.0 Hf Hf2 1 -0.00000000 0.50000000 0.50000000 1.0 Hf Hf3 1 0.50000000 0.00000000 0.50000000 1.0 Hf Hf4 1 0.68475896 0.06522748 0.06524642 1.0 Hf Hf5 1 0.93475190 0.93479544 0.31522683 1.0 Hf Hf6 1 0.31522719 0.31523275 0.93477053 1.0 Hf Hf7 1 0.93476743 0.31522706 0.31521280 1.0 Hf Hf8 1 0.93476743 0.31522706 0.93479171 1.0 Hf Hf9 1 0.31524104 0.93477252 0.31523186 1.0 Hf Hf10 1 0.06523257 0.68477294 0.06520829 1.0 Hf Hf11 1 0.06524810 0.06520456 0.68477317 1.0 Hf Hf12 1 0.68477281 0.68476725 0.06522947 1.0 Hf Hf13 1 0.68475896 0.06522748 0.68476814 1.0 Hf Hf14 1 0.31524104 0.93477252 0.93475458 1.0 Hf Hf15 1 0.06523257 0.68477294 0.68478720 1.0 Fe Fe16 1 0.71401663 0.71406242 0.71405480 1.0 Fe Fe17 1 0.28598337 0.28593758 0.64213485 1.0 Fe Fe18 1 0.64213762 0.28594847 0.28595695 1.0 Fe Fe19 1 0.28597885 0.64213517 0.28594299 1.0 Fe Fe20 1 0.35786238 0.71405153 0.71404305 1.0 Fe Fe21 1 0.71402115 0.35786483 0.71405701 1.0 Fe Fe22 1 0.71401663 0.71406242 0.35786515 1.0 Fe Fe23 1 0.28598337 0.28593758 0.28594520 1.0