# generated using pymatgen data_HfFeSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81844954 _cell_length_b 10.81844954 _cell_length_c 10.81844954 _cell_angle_alpha 152.70058077 _cell_angle_beta 138.61880458 _cell_angle_gamma 50.28643525 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfFeSi2 _chemical_formula_sum 'Hf6 Fe6 Si12' _cell_volume 382.27659626 _cell_formula_units_Z 6 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 0.87131600 0.11617000 0.75514600 1.0 Hf Hf1 1 0.14619700 0.64619700 0.50000000 1.0 Hf Hf2 1 0.36102400 0.11617000 0.24485400 1.0 Hf Hf3 1 0.85380300 0.35380300 0.50000000 1.0 Hf Hf4 1 0.63897600 0.88383000 0.75514600 1.0 Hf Hf5 1 0.12868400 0.88383000 0.24485400 1.0 Fe Fe6 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe7 1 0.25340000 0.00000000 0.25340000 1.0 Fe Fe8 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe9 1 0.74660000 0.00000000 0.74660000 1.0 Fe Fe10 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe11 1 0.50000000 0.50000000 0.50000000 1.0 Si Si12 1 0.50000000 0.74642900 0.24642900 1.0 Si Si13 1 0.28646400 0.78646400 0.50000000 1.0 Si Si14 1 0.78144200 0.78144200 0.00000000 1.0 Si Si15 1 0.00000000 0.74056400 0.74056400 1.0 Si Si16 1 0.50000000 0.25357100 0.75357100 1.0 Si Si17 1 0.49763000 0.34433600 0.15329400 1.0 Si Si18 1 0.21855800 0.21855800 0.00000000 1.0 Si Si19 1 0.71353600 0.21353600 0.50000000 1.0 Si Si20 1 0.00000000 0.25943600 0.25943600 1.0 Si Si21 1 0.50237000 0.65566400 0.84670600 1.0 Si Si22 1 0.19104300 0.34433600 0.84670600 1.0 Si Si23 1 0.80895700 0.65566400 0.15329400 1.0