# generated using pymatgen data_HfTaFe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86531218 _cell_length_b 4.86531218 _cell_length_c 7.94601800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000248 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaFe4 _chemical_formula_sum 'Hf2 Ta2 Fe8' _cell_volume 162.89268776 _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 0.66666700 0.33333300 0.43457500 1.0 Hf Hf1 1 0.33333300 0.66666700 0.56542500 1.0 Ta Ta2 1 0.33333300 0.66666700 0.94111300 1.0 Ta Ta3 1 0.66666700 0.33333300 0.05888700 1.0 Fe Fe4 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe5 1 0.00000000 0.00000000 0.00000000 1.0 Fe Fe6 1 0.66359900 0.83179900 0.24530900 1.0 Fe Fe7 1 0.16820100 0.83179900 0.24530900 1.0 Fe Fe8 1 0.16820100 0.33640100 0.24530900 1.0 Fe Fe9 1 0.33640100 0.16820100 0.75469100 1.0 Fe Fe10 1 0.83179900 0.16820100 0.75469100 1.0 Fe Fe11 1 0.83179900 0.66359900 0.75469100 1.0