# generated using pymatgen
data_YFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.49014758
_cell_length_b   11.49014758
_cell_length_c   7.30686264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2
_chemical_formula_sum   'Y20 Fe40'
_cell_volume   964.67751699
_cell_formula_units_Z   20
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  0.00000000  0.25000000  1
  Y  Y2  1  0.39973900  0.29927300  0.74744600  1
  Y  Y3  1  0.60026100  0.70072700  0.74744600  1
  Y  Y4  1  0.20072700  0.89973900  0.75255400  1
  Y  Y5  1  0.79927300  0.10026100  0.75255400  1
  Y  Y6  1  0.59904300  0.20184400  0.00270000  1
  Y  Y7  1  0.40095700  0.79815600  0.00270000  1
  Y  Y8  1  0.29815600  0.09904300  0.49730000  1
  Y  Y9  1  0.70184400  0.90095700  0.49730000  1
  Y  Y10  1  0.50000000  0.50000000  0.50000000  1
  Y  Y11  1  0.00000000  0.50000000  0.75000000  1
  Y  Y12  1  0.89973900  0.79927300  0.24744600  1
  Y  Y13  1  0.10026100  0.20072700  0.24744600  1
  Y  Y14  1  0.70072700  0.39973900  0.25255400  1
  Y  Y15  1  0.29927300  0.60026100  0.25255400  1
  Y  Y16  1  0.09904300  0.70184400  0.50270000  1
  Y  Y17  1  0.90095700  0.29815600  0.50270000  1
  Y  Y18  1  0.79815600  0.59904300  0.99730000  1
  Y  Y19  1  0.20184400  0.40095700  0.99730000  1
  Fe  Fe20  1  0.55130300  0.59851700  0.12403900  1
  Fe  Fe21  1  0.44869700  0.40148300  0.12403900  1
  Fe  Fe22  1  0.90148300  0.05130300  0.37596100  1
  Fe  Fe23  1  0.09851700  0.94869700  0.37596100  1
  Fe  Fe24  1  0.54888900  0.09901500  0.62459700  1
  Fe  Fe25  1  0.45111100  0.90098500  0.62459700  1
  Fe  Fe26  1  0.40098500  0.04888900  0.87540300  1
  Fe  Fe27  1  0.59901500  0.95111100  0.87540300  1
  Fe  Fe28  1  0.65101100  0.80140900  0.12191000  1
  Fe  Fe29  1  0.34898900  0.19859100  0.12191000  1
  Fe  Fe30  1  0.69859100  0.15101100  0.37809000  1
  Fe  Fe31  1  0.30140900  0.84898900  0.37809000  1
  Fe  Fe32  1  0.64783300  0.29770800  0.62565300  1
  Fe  Fe33  1  0.35216700  0.70229200  0.62565300  1
  Fe  Fe34  1  0.20229200  0.14783300  0.87434700  1
  Fe  Fe35  1  0.79770800  0.85216700  0.87434700  1
  Fe  Fe36  1  0.24944400  0.99610100  0.12760500  1
  Fe  Fe37  1  0.75055600  0.00389900  0.12760500  1
  Fe  Fe38  1  0.50389900  0.74944400  0.37239500  1
  Fe  Fe39  1  0.49610100  0.25055600  0.37239500  1
  Fe  Fe40  1  0.05130300  0.09851700  0.62403900  1
  Fe  Fe41  1  0.94869700  0.90148300  0.62403900  1
  Fe  Fe42  1  0.40148300  0.55130300  0.87596100  1
  Fe  Fe43  1  0.59851700  0.44869700  0.87596100  1
  Fe  Fe44  1  0.04888900  0.59901500  0.12459700  1
  Fe  Fe45  1  0.95111100  0.40098500  0.12459700  1
  Fe  Fe46  1  0.90098500  0.54888900  0.37540300  1
  Fe  Fe47  1  0.09901500  0.45111100  0.37540300  1
  Fe  Fe48  1  0.15101100  0.30140900  0.62191000  1
  Fe  Fe49  1  0.84898900  0.69859100  0.62191000  1
  Fe  Fe50  1  0.19859100  0.65101100  0.87809000  1
  Fe  Fe51  1  0.80140900  0.34898900  0.87809000  1
  Fe  Fe52  1  0.14783300  0.79770800  0.12565300  1
  Fe  Fe53  1  0.85216700  0.20229200  0.12565300  1
  Fe  Fe54  1  0.70229200  0.64783300  0.37434700  1
  Fe  Fe55  1  0.29770800  0.35216700  0.37434700  1
  Fe  Fe56  1  0.74944400  0.49610100  0.62760500  1
  Fe  Fe57  1  0.25055600  0.50389900  0.62760500  1
  Fe  Fe58  1  0.00389900  0.24944400  0.87239500  1
  Fe  Fe59  1  0.99610100  0.75055600  0.87239500  1
