# generated using pymatgen data_Hf2Fe3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.60097808 _cell_length_b 9.60097749 _cell_length_c 12.78904171 _cell_angle_alpha 53.19021113 _cell_angle_beta 53.19021363 _cell_angle_gamma 30.97981193 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Fe3Si4 _chemical_formula_sum 'Hf8 Fe12 Si16' _cell_volume 475.26705725 _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 0.29111720 0.56526717 0.64620204 1.0 Hf Hf1 1 0.43473283 0.70888280 0.85379796 1.0 Hf Hf2 1 0.70888280 0.43473283 0.35379796 1.0 Hf Hf3 1 0.56526717 0.29111720 0.14620204 1.0 Hf Hf4 1 0.03532849 0.29538483 0.64332358 1.0 Hf Hf5 1 0.70461517 0.96467151 0.85667642 1.0 Hf Hf6 1 0.96467151 0.70461517 0.35667642 1.0 Hf Hf7 1 0.29538483 0.03532849 0.14332358 1.0 Fe Fe8 1 0.65163803 0.82716085 0.27648492 1.0 Fe Fe9 1 0.17283915 0.34836197 0.22351508 1.0 Fe Fe10 1 0.76472974 0.48292704 0.06600300 1.0 Fe Fe11 1 0.82716085 0.65163803 0.77648492 1.0 Fe Fe12 1 0.89513506 0.14151836 0.58338552 1.0 Fe Fe13 1 0.85848164 0.10486494 0.91661448 1.0 Fe Fe14 1 0.10486494 0.85848164 0.41661448 1.0 Fe Fe15 1 0.14151836 0.89513506 0.08338552 1.0 Fe Fe16 1 0.23527026 0.51707296 0.93399700 1.0 Fe Fe17 1 0.48292704 0.76472974 0.56600300 1.0 Fe Fe18 1 0.51707296 0.23527026 0.43399700 1.0 Fe Fe19 1 0.34836197 0.17283915 0.72351508 1.0 Si Si20 1 0.88128955 0.11871045 0.25000000 1.0 Si Si21 1 0.11871045 0.88128955 0.75000000 1.0 Si Si22 1 0.38306467 0.61693533 0.25000000 1.0 Si Si23 1 0.61693533 0.38306467 0.75000000 1.0 Si Si24 1 0.96787745 0.25903478 0.89802003 1.0 Si Si25 1 0.74096522 0.03212255 0.60197997 1.0 Si Si26 1 0.03212255 0.74096522 0.10197997 1.0 Si Si27 1 0.25903478 0.96787745 0.39802003 1.0 Si Si28 1 0.56922818 0.09486308 0.06302790 1.0 Si Si29 1 0.90513692 0.43077182 0.43697210 1.0 Si Si30 1 0.43077182 0.90513692 0.93697210 1.0 Si Si31 1 0.09486308 0.56922818 0.56302790 1.0 Si Si32 1 0.39119528 0.13335874 0.39647193 1.0 Si Si33 1 0.86664126 0.60880472 0.10352807 1.0 Si Si34 1 0.60880472 0.86664126 0.60352807 1.0 Si Si35 1 0.13335874 0.39119528 0.89647193 1.0