# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70055806
_cell_length_b   6.16680685
_cell_length_c   46.61401856
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.29143728
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe60 P30'
_cell_volume   2339.468908
_cell_formula_units_Z   30
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
  Fe  Fe1  1  0.651033  0.937514  0.301300  1
  Fe  Fe2  1  0.262943  0.620377  0.324582  1
  Fe  Fe3  1  0.105541  0.305772  0.295031  1
  Fe  Fe4  1  0.952320  0.721615  0.311389  1
  Fe  Fe5  1  0.845872  0.189560  0.290030  1
  Fe  Fe6  1  0.354985  0.931004  0.292151  1
  Fe  Fe7  1  0.359129  0.109973  0.340081  1
  Fe  Fe8  1  0.992092  0.792136  0.368774  1
  Fe  Fe9  1  0.811694  0.462021  0.331695  1
  Fe  Fe10  1  0.673612  0.863722  0.355173  1
  Fe  Fe11  1  0.558497  0.315170  0.331510  1
  Fe  Fe12  1  0.079824  0.051254  0.333413  1
  Fe  Fe13  1  0.083325  0.209358  0.387707  1
  Fe  Fe14  1  0.708962  0.931083  0.412209  1
  Fe  Fe15  1  0.525926  0.593080  0.374778  1
  Fe  Fe16  1  0.393767  0.002208  0.398628  1
  Fe  Fe17  1  0.277847  0.460944  0.375162  1
  Fe  Fe18  1  0.787135  0.209508  0.378604  1
  Fe  Fe19  1  0.798918  0.352834  0.430432  1
  Fe  Fe20  1  0.424399  0.074504  0.455476  1
  Fe  Fe21  1  0.238528  0.741084  0.417778  1
  Fe  Fe22  1  0.109525  0.146131  0.442426  1
  Fe  Fe23  1  0.991226  0.599857  0.418877  1
  Fe  Fe24  1  0.504085  0.350652  0.421381  1
  Fe  Fe25  1  0.515255  0.493698  0.473843  1
  Fe  Fe26  1  0.140533  0.215771  0.498928  1
  Fe  Fe27  1  0.954912  0.883885  0.461681  1
  Fe  Fe28  1  0.825526  0.288123  0.485970  1
  Fe  Fe29  1  0.707031  0.740760  0.462077  1
  Fe  Fe30  1  0.220800  0.491901  0.464733  1
  Fe  Fe31  1  0.231730  0.635605  0.517317  1
  Fe  Fe32  1  0.855944  0.358360  0.542432  1
  Fe  Fe33  1  0.671155  0.026048  0.505241  1
  Fe  Fe34  1  0.541812  0.430308  0.529369  1
  Fe  Fe35  1  0.422630  0.882992  0.505422  1
  Fe  Fe36  1  0.936511  0.633928  0.508398  1
  Fe  Fe37  1  0.947867  0.774458  0.561007  1
  Fe  Fe38  1  0.566334  0.497390  0.584562  1
  Fe  Fe39  1  0.388972  0.169475  0.549015  1
  Fe  Fe40  1  0.257438  0.573146  0.572697  1
  Fe  Fe41  1  0.138512  0.024559  0.549014  1
  Fe  Fe42  1  0.653566  0.773663  0.551831  1
  Fe  Fe43  1  0.663386  0.917628  0.604229  1
  Fe  Fe44  1  0.291939  0.643393  0.629776  1
  Fe  Fe45  1  0.103697  0.307236  0.591299  1
  Fe  Fe46  1  0.972265  0.716984  0.616241  1
  Fe  Fe47  1  0.856200  0.165795  0.591953  1
  Fe  Fe48  1  0.369676  0.915129  0.595414  1
  Fe  Fe49  1  0.384167  0.064807  0.648508  1
  Fe  Fe50  1  0.988520  0.749169  0.671153  1
  Fe  Fe51  1  0.836025  0.452131  0.639957  1
  Fe  Fe52  1  0.683972  0.871898  0.659387  1
  Fe  Fe53  1  0.568376  0.307651  0.637706  1
  Fe  Fe54  1  0.086852  0.052024  0.639318  1
  Fe  Fe55  1  0.091768  0.239399  0.687728  1
  Fe  Fe56  1  0.707206  0.890144  0.711398  1
  Fe  Fe57  1  0.546102  0.615251  0.678157  1
  Fe  Fe58  1  0.400229  0.008806  0.701697  1
  Fe  Fe59  1  0.284539  0.445902  0.678722  1
  Fe  Fe60  1  0.810677  0.185260  0.680853  1
  P  P61  1  0.534558  0.694908  0.323943  1
  P  P62  1  0.394489  0.287242  0.292370  1
  P  P63  1  0.114962  0.891426  0.284661  1
  P  P64  1  0.250882  0.847495  0.368578  1
  P  P65  1  0.101231  0.415461  0.342414  1
  P  P66  1  0.821822  0.059918  0.334285  1
  P  P67  1  0.963900  0.983620  0.412885  1
  P  P68  1  0.818217  0.557450  0.384083  1
  P  P69  1  0.533185  0.197616  0.376897  1
  P  P70  1  0.679186  0.126570  0.456524  1
  P  P71  1  0.534259  0.699686  0.427472  1
  P  P72  1  0.249043  0.341381  0.420073  1
  P  P73  1  0.395182  0.267959  0.499989  1
  P  P74  1  0.250604  0.840312  0.470791  1
  P  P75  1  0.965222  0.484024  0.463800  1
  P  P76  1  0.111235  0.410360  0.543350  1
  P  P77  1  0.966907  0.982012  0.514376  1
  P  P78  1  0.680722  0.626809  0.507072  1
  P  P79  1  0.826896  0.547208  0.587703  1
  P  P80  1  0.683504  0.121734  0.557956  1
  P  P81  1  0.396404  0.770468  0.550431  1
  P  P82  1  0.546928  0.689060  0.630336  1
  P  P83  1  0.399806  0.265194  0.601364  1
  P  P84  1  0.114036  0.909886  0.594340  1
  P  P85  1  0.253091  0.830353  0.675354  1
  P  P86  1  0.114425  0.407034  0.642846  1
  P  P87  1  0.824919  0.059361  0.636564  1
  P  P88  1  0.958846  0.978508  0.717839  1
  P  P89  1  0.825305  0.538742  0.692323  1
  P  P90  1  0.542759  0.234360  0.688064  1
