# generated using pymatgen data_Hf(FeSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02370100 _cell_length_b 7.02671200 _cell_length_c 7.43028900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf(FeSi)2 _chemical_formula_sum 'Hf4 Fe8 Si8' _cell_volume 262.28994548 _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 0.75000000 0.90670600 0.24872900 1.0 Hf Hf1 1 0.25000000 0.09329400 0.75127100 1.0 Hf Hf2 1 0.75000000 0.40670600 0.75127100 1.0 Hf Hf3 1 0.25000000 0.59329400 0.24872900 1.0 Fe Fe4 1 0.75000000 0.51668500 0.10838300 1.0 Fe Fe5 1 0.25000000 0.48331500 0.89161700 1.0 Fe Fe6 1 0.75000000 0.01668500 0.89161700 1.0 Fe Fe7 1 0.25000000 0.98331500 0.10838300 1.0 Fe Fe8 1 0.00000000 0.75000000 0.60995600 1.0 Fe Fe9 1 0.50000000 0.25000000 0.39004400 1.0 Fe Fe10 1 0.00000000 0.25000000 0.39004400 1.0 Fe Fe11 1 0.50000000 0.75000000 0.60995600 1.0 Si Si12 1 0.75000000 0.54887900 0.41430600 1.0 Si Si13 1 0.25000000 0.45112100 0.58569400 1.0 Si Si14 1 0.75000000 0.04887900 0.58569400 1.0 Si Si15 1 0.25000000 0.95112100 0.41430600 1.0 Si Si16 1 0.00000000 0.75000000 0.94366400 1.0 Si Si17 1 0.50000000 0.25000000 0.05633600 1.0 Si Si18 1 0.00000000 0.25000000 0.05633600 1.0 Si Si19 1 0.50000000 0.75000000 0.94366400 1.0