# generated using pymatgen
data_Y3(Fe31B7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.12227819
_cell_length_b   12.12227819
_cell_length_c   12.12227819
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3(Fe31B7)2
_chemical_formula_sum   'Y6 Fe124 B28'
_cell_volume   1781.36427679
_cell_formula_units_Z   2
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  0.50000000  1
  Y  Y1  1  0.00000000  0.50000000  0.00000000  1
  Y  Y2  1  0.50000000  0.00000000  0.00000000  1
  Y  Y3  1  0.50000000  0.50000000  0.00000000  1
  Y  Y4  1  0.50000000  0.00000000  0.50000000  1
  Y  Y5  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe6  1  0.00000000  0.14721500  0.28758100  1
  Fe  Fe7  1  0.00000000  0.85278500  0.71241900  1
  Fe  Fe8  1  0.00000000  0.28758100  0.85278500  1
  Fe  Fe9  1  0.00000000  0.71241900  0.14721500  1
  Fe  Fe10  1  0.00000000  0.85278500  0.28758100  1
  Fe  Fe11  1  0.00000000  0.14721500  0.71241900  1
  Fe  Fe12  1  0.00000000  0.71241900  0.85278500  1
  Fe  Fe13  1  0.00000000  0.28758100  0.14721500  1
  Fe  Fe14  1  0.14721500  0.28758100  0.00000000  1
  Fe  Fe15  1  0.85278500  0.71241900  0.00000000  1
  Fe  Fe16  1  0.28758100  0.85278500  0.00000000  1
  Fe  Fe17  1  0.71241900  0.14721500  0.00000000  1
  Fe  Fe18  1  0.85278500  0.28758100  0.00000000  1
  Fe  Fe19  1  0.14721500  0.71241900  0.00000000  1
  Fe  Fe20  1  0.71241900  0.85278500  0.00000000  1
  Fe  Fe21  1  0.28758100  0.14721500  0.00000000  1
  Fe  Fe22  1  0.28758100  0.00000000  0.14721500  1
  Fe  Fe23  1  0.71241900  0.00000000  0.85278500  1
  Fe  Fe24  1  0.85278500  0.00000000  0.28758100  1
  Fe  Fe25  1  0.14721500  0.00000000  0.71241900  1
  Fe  Fe26  1  0.28758100  0.00000000  0.85278500  1
  Fe  Fe27  1  0.71241900  0.00000000  0.14721500  1
  Fe  Fe28  1  0.85278500  0.00000000  0.71241900  1
  Fe  Fe29  1  0.14721500  0.00000000  0.28758100  1
  Fe  Fe30  1  0.50000000  0.64721500  0.78758100  1
  Fe  Fe31  1  0.50000000  0.35278500  0.21241900  1
  Fe  Fe32  1  0.50000000  0.78758100  0.35278500  1
  Fe  Fe33  1  0.50000000  0.21241900  0.64721500  1
  Fe  Fe34  1  0.50000000  0.35278500  0.78758100  1
  Fe  Fe35  1  0.50000000  0.64721500  0.21241900  1
  Fe  Fe36  1  0.50000000  0.21241900  0.35278500  1
  Fe  Fe37  1  0.50000000  0.78758100  0.64721500  1
  Fe  Fe38  1  0.64721500  0.78758100  0.50000000  1
  Fe  Fe39  1  0.35278500  0.21241900  0.50000000  1
  Fe  Fe40  1  0.78758100  0.35278500  0.50000000  1
  Fe  Fe41  1  0.21241900  0.64721500  0.50000000  1
  Fe  Fe42  1  0.35278500  0.78758100  0.50000000  1
  Fe  Fe43  1  0.64721500  0.21241900  0.50000000  1
  Fe  Fe44  1  0.21241900  0.35278500  0.50000000  1
  Fe  Fe45  1  0.78758100  0.64721500  0.50000000  1
  Fe  Fe46  1  0.78758100  0.50000000  0.64721500  1
  Fe  Fe47  1  0.21241900  0.50000000  0.35278500  1
  Fe  Fe48  1  0.35278500  0.50000000  0.78758100  1
  Fe  Fe49  1  0.64721500  0.50000000  0.21241900  1
  Fe  Fe50  1  0.78758100  0.50000000  0.35278500  1
  Fe  Fe51  1  0.21241900  0.50000000  0.64721500  1
  Fe  Fe52  1  0.35278500  0.50000000  0.21241900  1
  Fe  Fe53  1  0.64721500  0.50000000  0.78758100  1
  Fe  Fe54  1  0.09651100  0.33233100  0.66766900  1
  Fe  Fe55  1  0.90348900  0.66766900  0.33233100  1
  Fe  Fe56  1  0.09651100  0.66766900  0.66766900  1
  Fe  Fe57  1  0.90348900  0.33233100  0.33233100  1
  Fe  Fe58  1  0.09651100  0.66766900  0.33233100  1
  Fe  Fe59  1  0.90348900  0.33233100  0.66766900  1
  Fe  Fe60  1  0.09651100  0.33233100  0.33233100  1
  Fe  Fe61  1  0.90348900  0.66766900  0.66766900  1
  Fe  Fe62  1  0.33233100  0.66766900  0.09651100  1
  Fe  Fe63  1  0.66766900  0.33233100  0.90348900  1
  Fe  Fe64  1  0.66766900  0.66766900  0.09651100  1
  Fe  Fe65  1  0.33233100  0.33233100  0.90348900  1
  Fe  Fe66  1  0.66766900  0.33233100  0.09651100  1
  Fe  Fe67  1  0.33233100  0.66766900  0.90348900  1
  Fe  Fe68  1  0.33233100  0.33233100  0.09651100  1
  Fe  Fe69  1  0.66766900  0.66766900  0.90348900  1
  Fe  Fe70  1  0.66766900  0.09651100  0.33233100  1
  Fe  Fe71  1  0.33233100  0.90348900  0.66766900  1
  Fe  Fe72  1  0.66766900  0.09651100  0.66766900  1
  Fe  Fe73  1  0.33233100  0.90348900  0.33233100  1
  Fe  Fe74  1  0.33233100  0.09651100  0.66766900  1
  Fe  Fe75  1  0.66766900  0.90348900  0.33233100  1
  Fe  Fe76  1  0.33233100  0.09651100  0.33233100  1
  Fe  Fe77  1  0.66766900  0.90348900  0.66766900  1
  Fe  Fe78  1  0.59651100  0.83233100  0.16766900  1
  Fe  Fe79  1  0.40348900  0.16766900  0.83233100  1
  Fe  Fe80  1  0.59651100  0.16766900  0.16766900  1
  Fe  Fe81  1  0.40348900  0.83233100  0.83233100  1
  Fe  Fe82  1  0.59651100  0.16766900  0.83233100  1
  Fe  Fe83  1  0.40348900  0.83233100  0.16766900  1
  Fe  Fe84  1  0.59651100  0.83233100  0.83233100  1
  Fe  Fe85  1  0.40348900  0.16766900  0.16766900  1
  Fe  Fe86  1  0.83233100  0.16766900  0.59651100  1
  Fe  Fe87  1  0.16766900  0.83233100  0.40348900  1
  Fe  Fe88  1  0.16766900  0.16766900  0.59651100  1
  Fe  Fe89  1  0.83233100  0.83233100  0.40348900  1
  Fe  Fe90  1  0.16766900  0.83233100  0.59651100  1
  Fe  Fe91  1  0.83233100  0.16766900  0.40348900  1
  Fe  Fe92  1  0.83233100  0.83233100  0.59651100  1
  Fe  Fe93  1  0.16766900  0.16766900  0.40348900  1
  Fe  Fe94  1  0.16766900  0.59651100  0.83233100  1
  Fe  Fe95  1  0.83233100  0.40348900  0.16766900  1
  Fe  Fe96  1  0.16766900  0.59651100  0.16766900  1
  Fe  Fe97  1  0.83233100  0.40348900  0.83233100  1
  Fe  Fe98  1  0.83233100  0.59651100  0.16766900  1
  Fe  Fe99  1  0.16766900  0.40348900  0.83233100  1
  Fe  Fe100  1  0.83233100  0.59651100  0.83233100  1
  Fe  Fe101  1  0.16766900  0.40348900  0.16766900  1
  Fe  Fe102  1  0.19185200  0.80814800  0.19185200  1
  Fe  Fe103  1  0.80814800  0.19185200  0.80814800  1
  Fe  Fe104  1  0.19185200  0.19185200  0.19185200  1
  Fe  Fe105  1  0.80814800  0.80814800  0.80814800  1
  Fe  Fe106  1  0.19185200  0.19185200  0.80814800  1
  Fe  Fe107  1  0.80814800  0.80814800  0.19185200  1
  Fe  Fe108  1  0.19185200  0.80814800  0.80814800  1
  Fe  Fe109  1  0.80814800  0.19185200  0.19185200  1
  Fe  Fe110  1  0.69185200  0.30814800  0.69185200  1
  Fe  Fe111  1  0.30814800  0.69185200  0.30814800  1
  Fe  Fe112  1  0.69185200  0.69185200  0.69185200  1
  Fe  Fe113  1  0.30814800  0.30814800  0.30814800  1
  Fe  Fe114  1  0.69185200  0.69185200  0.30814800  1
  Fe  Fe115  1  0.30814800  0.30814800  0.69185200  1
  Fe  Fe116  1  0.69185200  0.30814800  0.30814800  1
  Fe  Fe117  1  0.30814800  0.69185200  0.69185200  1
  Fe  Fe118  1  0.00000000  0.25000000  0.50000000  1
  Fe  Fe119  1  0.00000000  0.75000000  0.50000000  1
  Fe  Fe120  1  0.00000000  0.50000000  0.75000000  1
  Fe  Fe121  1  0.00000000  0.50000000  0.25000000  1
  Fe  Fe122  1  0.25000000  0.50000000  0.00000000  1
  Fe  Fe123  1  0.75000000  0.50000000  0.00000000  1
  Fe  Fe124  1  0.50000000  0.75000000  0.00000000  1
  Fe  Fe125  1  0.50000000  0.25000000  0.00000000  1
  Fe  Fe126  1  0.50000000  0.00000000  0.25000000  1
  Fe  Fe127  1  0.50000000  0.00000000  0.75000000  1
  Fe  Fe128  1  0.75000000  0.00000000  0.50000000  1
  Fe  Fe129  1  0.25000000  0.00000000  0.50000000  1
  B  B130  1  0.08896600  0.08896600  0.08896600  1
  B  B131  1  0.91103400  0.91103400  0.91103400  1
  B  B132  1  0.08896600  0.08896600  0.91103400  1
  B  B133  1  0.91103400  0.91103400  0.08896600  1
  B  B134  1  0.08896600  0.91103400  0.91103400  1
  B  B135  1  0.91103400  0.08896600  0.08896600  1
  B  B136  1  0.08896600  0.91103400  0.08896600  1
  B  B137  1  0.91103400  0.08896600  0.91103400  1
  B  B138  1  0.58896600  0.58896600  0.58896600  1
  B  B139  1  0.41103400  0.41103400  0.41103400  1
  B  B140  1  0.58896600  0.58896600  0.41103400  1
  B  B141  1  0.41103400  0.41103400  0.58896600  1
  B  B142  1  0.58896600  0.41103400  0.41103400  1
  B  B143  1  0.41103400  0.58896600  0.58896600  1
  B  B144  1  0.58896600  0.41103400  0.58896600  1
  B  B145  1  0.41103400  0.58896600  0.41103400  1
  B  B146  1  0.00000000  0.00000000  0.17517100  1
  B  B147  1  0.00000000  0.00000000  0.82482900  1
  B  B148  1  0.00000000  0.17517100  0.00000000  1
  B  B149  1  0.00000000  0.82482900  0.00000000  1
  B  B150  1  0.17517100  0.00000000  0.00000000  1
  B  B151  1  0.82482900  0.00000000  0.00000000  1
  B  B152  1  0.50000000  0.50000000  0.67517100  1
  B  B153  1  0.50000000  0.50000000  0.32482900  1
  B  B154  1  0.50000000  0.67517100  0.50000000  1
  B  B155  1  0.50000000  0.32482900  0.50000000  1
  B  B156  1  0.67517100  0.50000000  0.50000000  1
  B  B157  1  0.32482900  0.50000000  0.50000000  1
