# generated using pymatgen
data_YFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.57725074
_cell_length_b   12.57725074
_cell_length_c   12.57725074
_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   1531.56441285
_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
  Y  Y1  1  0.50000000  0.50000000  0.00000000  1
  Y  Y2  1  0.50000000  0.00000000  0.50000000  1
  Y  Y3  1  0.00000000  0.50000000  0.50000000  1
  Y  Y4  1  -0.00000000  -0.00000000  0.74818500  1
  Y  Y5  1  0.00000000  0.74818500  0.00000000  1
  Y  Y6  1  0.74818500  0.00000000  0.00000000  1
  Y  Y7  1  0.25181500  0.25181500  0.25181500  1
  Y  Y8  1  0.00000000  0.24771700  0.74588600  1
  Y  Y9  1  0.75228300  0.75228300  0.49816900  1
  Y  Y10  1  0.24771700  0.00000000  0.74588600  1
  Y  Y11  1  0.00000000  0.74588600  0.24771700  1
  Y  Y12  1  0.24771700  0.74588600  0.00000000  1
  Y  Y13  1  0.75228300  0.49816900  0.75228300  1
  Y  Y14  1  0.49816900  0.75228300  0.75228300  1
  Y  Y15  1  0.74588600  0.24771700  0.00000000  1
  Y  Y16  1  0.74588600  0.00000000  0.24771700  1
  Y  Y17  1  0.50183100  0.25411400  0.25411400  1
  Y  Y18  1  0.25411400  0.25411400  0.50183100  1
  Y  Y19  1  0.25411400  0.50183100  0.25411400  1
  Y  Y20  1  0.75054900  0.75054900  0.24643000  1
  Y  Y21  1  0.24945100  0.00000000  0.49588200  1
  Y  Y22  1  -0.00000000  0.24945100  0.49588100  1
  Y  Y23  1  0.24945100  0.49588100  0.00000000  1
  Y  Y24  1  0.75054900  0.24643000  0.75054900  1
  Y  Y25  1  0.00000000  0.49588100  0.24945100  1
  Y  Y26  1  0.49588100  0.24945100  0.00000000  1
  Y  Y27  1  0.49588100  0.00000000  0.24945100  1
  Y  Y28  1  0.24643000  0.75054900  0.75054900  1
  Y  Y29  1  0.50411800  0.50411800  0.75357000  1
  Y  Y30  1  0.50411800  0.75357000  0.50411800  1
  Y  Y31  1  0.75357000  0.50411900  0.50411800  1
  Fe  Fe32  1  0.00000000  0.00000000  0.37052700  1
  Fe  Fe33  1  0.00000000  0.37052700  0.00000000  1
  Fe  Fe34  1  0.37052700  0.00000000  0.00000000  1
  Fe  Fe35  1  0.62947300  0.62947300  0.62947300  1
  Fe  Fe36  1  0.00000000  0.49545200  0.87519700  1
  Fe  Fe37  1  0.50454800  0.50454800  0.37974500  1
  Fe  Fe38  1  0.49545200  0.00000000  0.87519700  1
  Fe  Fe39  1  -0.00000000  0.87519700  0.49545200  1
  Fe  Fe40  1  0.49545200  0.87519700  0.00000000  1
  Fe  Fe41  1  0.50454800  0.37974500  0.50454800  1
  Fe  Fe42  1  0.37974500  0.50454800  0.50454800  1
  Fe  Fe43  1  0.87519700  0.49545200  0.00000000  1
  Fe  Fe44  1  0.87519700  0.00000000  0.49545200  1
  Fe  Fe45  1  0.62025500  0.12480300  0.12480300  1
  Fe  Fe46  1  0.12480300  0.12480300  0.62025500  1
  Fe  Fe47  1  0.12480300  0.62025500  0.12480300  1
  Fe  Fe48  1  0.00000000  0.24903200  0.12578900  1
  Fe  Fe49  1  0.75096800  0.75096800  0.87675700  1
  Fe  Fe50  1  0.24903200  0.00000000  0.12578900  1
  Fe  Fe51  1  0.00000000  0.12578900  0.24903200  1
  Fe  Fe52  1  0.24903200  0.12578900  0.00000000  1
  Fe  Fe53  1  0.75096800  0.87675700  0.75096800  1
  Fe  Fe54  1  0.87675700  0.75096800  0.75096800  1
  Fe  Fe55  1  0.12578900  0.24903200  0.00000000  1
  Fe  Fe56  1  0.12578900  0.00000000  0.24903200  1
  Fe  Fe57  1  0.12324300  0.87421100  0.87421100  1
  Fe  Fe58  1  0.87421100  0.87421100  0.12324300  1
  Fe  Fe59  1  0.87421100  0.12324300  0.87421100  1
  Fe  Fe60  1  0.00000000  0.75089100  0.62272300  1
  Fe  Fe61  1  0.24910900  0.24910900  0.87183100  1
  Fe  Fe62  1  0.75089100  0.00000000  0.62272300  1
  Fe  Fe63  1  -0.00000000  0.62272300  0.75089100  1
  Fe  Fe64  1  0.75089100  0.62272300  0.00000000  1
  Fe  Fe65  1  0.24910900  0.87183100  0.24910900  1
  Fe  Fe66  1  0.87183100  0.24910900  0.24910900  1
  Fe  Fe67  1  0.62272300  0.75089100  0.00000000  1
  Fe  Fe68  1  0.62272300  -0.00000000  0.75089100  1
  Fe  Fe69  1  0.12816900  0.37727700  0.37727700  1
  Fe  Fe70  1  0.37727700  0.37727700  0.12816900  1
  Fe  Fe71  1  0.37727700  0.12816900  0.37727700  1
  Fe  Fe72  1  0.74916200  0.49789300  0.12456800  1
  Fe  Fe73  1  0.50210700  0.25126900  0.62667500  1
  Fe  Fe74  1  0.74873100  0.25083800  0.37540600  1
  Fe  Fe75  1  0.25083800  0.74873100  0.37540600  1
  Fe  Fe76  1  0.49789300  0.74916200  0.12456800  1
  Fe  Fe77  1  0.25126900  0.50210700  0.62667500  1
  Fe  Fe78  1  0.25083800  0.37540600  0.74873100  1
  Fe  Fe79  1  0.49789300  0.12456800  0.74916200  1
  Fe  Fe80  1  0.25126900  0.62667500  0.50210700  1
  Fe  Fe81  1  0.74916200  0.12456800  0.49789300  1
  Fe  Fe82  1  0.50210700  0.62667500  0.25126900  1
  Fe  Fe83  1  0.74873100  0.37540600  0.25083800  1
  Fe  Fe84  1  0.62667500  0.50210700  0.25126900  1
  Fe  Fe85  1  0.37540600  0.74873100  0.25083800  1
  Fe  Fe86  1  0.12456800  0.74916200  0.49789300  1
  Fe  Fe87  1  0.62667500  0.25126900  0.50210700  1
  Fe  Fe88  1  0.37540600  0.25083800  0.74873100  1
  Fe  Fe89  1  0.12456800  0.49789300  0.74916200  1
  Fe  Fe90  1  0.37332500  0.62459400  0.87543200  1
  Fe  Fe91  1  0.62459400  0.87543200  0.37332500  1
  Fe  Fe92  1  0.87543200  0.37332500  0.62459400  1
  Fe  Fe93  1  0.37332500  0.87543200  0.62459400  1
  Fe  Fe94  1  0.62459400  0.37332500  0.87543200  1
  Fe  Fe95  1  0.87543200  0.62459400  0.37332500  1
