# generated using pymatgen data_YFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.57725057 _cell_length_b 12.57725057 _cell_length_c 12.57725057 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFe2 _chemical_formula_sum 'Y32 Fe64' _cell_volume 1531.56434907 _cell_formula_units_Z 32 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 Y Y0 1 0.00000000 0.00000000 0.00000000 1.0 Y Y1 1 0.50000000 0.50000000 0.00000000 1.0 Y Y2 1 0.50000000 0.00000000 0.50000000 1.0 Y Y3 1 0.00000000 0.50000000 0.50000000 1.0 Y Y4 1 0.00000000 0.00000000 0.74818500 1.0 Y Y5 1 0.00000000 0.74818500 0.00000000 1.0 Y Y6 1 0.74818500 0.00000000 0.00000000 1.0 Y Y7 1 0.25181500 0.25181500 0.25181500 1.0 Y Y8 1 0.00000000 0.24771700 0.74588600 1.0 Y Y9 1 0.75228300 0.75228300 0.49816900 1.0 Y Y10 1 0.24771700 0.00000000 0.74588600 1.0 Y Y11 1 0.00000000 0.74588600 0.24771700 1.0 Y Y12 1 0.24771700 0.74588600 0.00000000 1.0 Y Y13 1 0.75228300 0.49816900 0.75228300 1.0 Y Y14 1 0.49816900 0.75228300 0.75228300 1.0 Y Y15 1 0.74588600 0.24771700 0.00000000 1.0 Y Y16 1 0.74588600 0.00000000 0.24771700 1.0 Y Y17 1 0.50183100 0.25411400 0.25411400 1.0 Y Y18 1 0.25411400 0.25411400 0.50183100 1.0 Y Y19 1 0.25411400 0.50183100 0.25411400 1.0 Y Y20 1 0.75054900 0.75054900 0.24643000 1.0 Y Y21 1 0.24945100 0.00000000 0.49588200 1.0 Y Y22 1 0.00000000 0.24945100 0.49588100 1.0 Y Y23 1 0.24945100 0.49588100 0.00000000 1.0 Y Y24 1 0.75054900 0.24643000 0.75054900 1.0 Y Y25 1 0.00000000 0.49588100 0.24945100 1.0 Y Y26 1 0.49588100 0.24945100 0.00000000 1.0 Y Y27 1 0.49588100 0.00000000 0.24945100 1.0 Y Y28 1 0.24643000 0.75054900 0.75054900 1.0 Y Y29 1 0.50411800 0.50411800 0.75357000 1.0 Y Y30 1 0.50411800 0.75357000 0.50411800 1.0 Y Y31 1 0.75357000 0.50411900 0.50411800 1.0 Fe Fe32 1 0.00000000 0.00000000 0.37052700 1.0 Fe Fe33 1 0.00000000 0.37052700 0.00000000 1.0 Fe Fe34 1 0.37052700 0.00000000 0.00000000 1.0 Fe Fe35 1 0.62947300 0.62947300 0.62947300 1.0 Fe Fe36 1 0.00000000 0.49545200 0.87519700 1.0 Fe Fe37 1 0.50454800 0.50454800 0.37974500 1.0 Fe Fe38 1 0.49545200 0.00000000 0.87519700 1.0 Fe Fe39 1 0.00000000 0.87519700 0.49545200 1.0 Fe Fe40 1 0.49545200 0.87519700 0.00000000 1.0 Fe Fe41 1 0.50454800 0.37974500 0.50454800 1.0 Fe Fe42 1 0.37974500 0.50454800 0.50454800 1.0 Fe Fe43 1 0.87519700 0.49545200 0.00000000 1.0 Fe Fe44 1 0.87519700 0.00000000 0.49545200 1.0 Fe Fe45 1 0.62025500 0.12480300 0.12480300 1.0 Fe Fe46 1 0.12480300 0.12480300 0.62025500 1.0 Fe Fe47 1 0.12480300 0.62025500 0.12480300 1.0 Fe Fe48 1 0.00000000 0.24903200 0.12578900 1.0 Fe Fe49 1 0.75096800 0.75096800 0.87675700 1.0 Fe Fe50 1 0.24903200 0.00000000 0.12578900 1.0 Fe Fe51 1 0.00000000 0.12578900 0.24903200 1.0 Fe Fe52 1 0.24903200 0.12578900 0.00000000 1.0 Fe Fe53 1 0.75096800 0.87675700 0.75096800 1.0 Fe Fe54 1 0.87675700 0.75096800 0.75096800 1.0 Fe Fe55 1 0.12578900 0.24903200 0.00000000 1.0 Fe Fe56 1 0.12578900 0.00000000 0.24903200 1.0 Fe Fe57 1 0.12324300 0.87421100 0.87421100 1.0 Fe Fe58 1 0.87421100 0.87421100 0.12324300 1.0 Fe Fe59 1 0.87421100 0.12324300 0.87421100 1.0 Fe Fe60 1 0.00000000 0.75089100 0.62272300 1.0 Fe Fe61 1 0.24910900 0.24910900 0.87183100 1.0 Fe Fe62 1 0.75089100 0.00000000 0.62272300 1.0 Fe Fe63 1 0.00000000 0.62272300 0.75089100 1.0 Fe Fe64 1 0.75089100 0.62272300 0.00000000 1.0 Fe Fe65 1 0.24910900 0.87183100 0.24910900 1.0 Fe Fe66 1 0.87183100 0.24910900 0.24910900 1.0 Fe Fe67 1 0.62272300 0.75089100 0.00000000 1.0 Fe Fe68 1 0.62272300 0.00000000 0.75089100 1.0 Fe Fe69 1 0.12816900 0.37727700 0.37727700 1.0 Fe Fe70 1 0.37727700 0.37727700 0.12816900 1.0 Fe Fe71 1 0.37727700 0.12816900 0.37727700 1.0 Fe Fe72 1 0.74916200 0.49789300 0.12456800 1.0 Fe Fe73 1 0.50210700 0.25126900 0.62667500 1.0 Fe Fe74 1 0.74873100 0.25083800 0.37540600 1.0 Fe Fe75 1 0.25083800 0.74873100 0.37540600 1.0 Fe Fe76 1 0.49789300 0.74916200 0.12456800 1.0 Fe Fe77 1 0.25126900 0.50210700 0.62667500 1.0 Fe Fe78 1 0.25083800 0.37540600 0.74873100 1.0 Fe Fe79 1 0.49789300 0.12456800 0.74916200 1.0 Fe Fe80 1 0.25126900 0.62667500 0.50210700 1.0 Fe Fe81 1 0.74916200 0.12456800 0.49789300 1.0 Fe Fe82 1 0.50210700 0.62667500 0.25126900 1.0 Fe Fe83 1 0.74873100 0.37540600 0.25083800 1.0 Fe Fe84 1 0.62667500 0.50210700 0.25126900 1.0 Fe Fe85 1 0.37540600 0.74873100 0.25083800 1.0 Fe Fe86 1 0.12456800 0.74916200 0.49789300 1.0 Fe Fe87 1 0.62667500 0.25126900 0.50210700 1.0 Fe Fe88 1 0.37540600 0.25083800 0.74873100 1.0 Fe Fe89 1 0.12456800 0.49789300 0.74916200 1.0 Fe Fe90 1 0.37332500 0.62459400 0.87543200 1.0 Fe Fe91 1 0.62459400 0.87543200 0.37332500 1.0 Fe Fe92 1 0.87543200 0.37332500 0.62459400 1.0 Fe Fe93 1 0.37332500 0.87543200 0.62459400 1.0 Fe Fe94 1 0.62459400 0.37332500 0.87543200 1.0 Fe Fe95 1 0.87543200 0.62459400 0.37332500 1.0