# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06813926
_cell_length_b   16.31070613
_cell_length_c   54.93995885
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe72 P36'
_cell_volume   2749.38880818
_cell_formula_units_Z   36
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  1.001883  0.771316  0.369271  1
  Fe  Fe2  1  1.001883  0.421225  0.332079  1
  Fe  Fe3  1  1.001883  0.063358  0.299634  1
  Fe  Fe4  1  1.001883  0.583619  0.370755  1
  Fe  Fe5  1  1.001883  0.211995  0.333833  1
  Fe  Fe6  1  1.001883  0.874087  0.299145  1
  Fe  Fe7  1  1.001883  0.675513  0.320091  1
  Fe  Fe8  1  1.001883  0.308608  0.287663  1
  Fe  Fe9  1  1.001883  0.032919  0.356951  1
  Fe  Fe10  1  0.501883  0.797782  0.330872  1
  Fe  Fe11  1  0.501883  0.433669  0.292842  1
  Fe  Fe12  1  0.501883  0.152649  0.369658  1
  Fe  Fe13  1  0.501883  0.906936  0.372130  1
  Fe  Fe14  1  0.501883  0.551402  0.333273  1
  Fe  Fe15  1  0.501883  0.188523  0.294567  1
  Fe  Fe16  1  0.501883  0.614293  0.284777  1
  Fe  Fe17  1  0.501883  0.325141  0.359880  1
  Fe  Fe18  1  0.501883  0.966069  0.322651  1
  Fe  Fe19  1  1.001883  0.843210  0.480593  1
  Fe  Fe20  1  1.001883  0.486552  0.443134  1
  Fe  Fe21  1  1.001883  0.128845  0.406131  1
  Fe  Fe22  1  1.001883  0.654593  0.482525  1
  Fe  Fe23  1  1.001883  0.297506  0.445276  1
  Fe  Fe24  1  1.001883  0.939605  0.409495  1
  Fe  Fe25  1  1.001883  0.742485  0.432678  1
  Fe  Fe26  1  1.001883  0.386210  0.395625  1
  Fe  Fe27  1  1.001883  0.100064  0.469470  1
  Fe  Fe28  1  0.501883  0.866886  0.442676  1
  Fe  Fe29  1  0.501883  0.510650  0.405064  1
  Fe  Fe30  1  0.501883  0.224429  0.479136  1
  Fe  Fe31  1  0.501883  0.977762  0.482673  1
  Fe  Fe32  1  0.501883  0.621108  0.445235  1
  Fe  Fe33  1  0.501883  0.263705  0.408059  1
  Fe  Fe34  1  0.501883  0.680504  0.396141  1
  Fe  Fe35  1  0.501883  0.395215  0.470341  1
  Fe  Fe36  1  0.501883  0.037832  0.433628  1
  Fe  Fe37  1  1.001883  0.916276  0.592068  1
  Fe  Fe38  1  1.001883  0.558912  0.555757  1
  Fe  Fe39  1  1.001883  0.200562  0.517135  1
  Fe  Fe40  1  1.001883  0.722941  0.594047  1
  Fe  Fe41  1  1.001883  0.369812  0.556394  1
  Fe  Fe42  1  1.001883  0.011992  0.519699  1
  Fe  Fe43  1  1.001883  0.813488  0.544228  1
  Fe  Fe44  1  1.001883  0.456733  0.506368  1
  Fe  Fe45  1  1.001883  0.171903  0.579822  1
  Fe  Fe46  1  0.501883  0.938260  0.553717  1
  Fe  Fe47  1  0.501883  0.581375  0.516264  1
  Fe  Fe48  1  0.501883  0.296882  0.589728  1
  Fe  Fe49  1  0.501883  0.047702  0.593601  1
  Fe  Fe50  1  0.501883  0.694892  0.556107  1
  Fe  Fe51  1  0.501883  0.336115  0.519158  1
  Fe  Fe52  1  0.501883  0.752257  0.507876  1
  Fe  Fe53  1  0.501883  0.466086  0.580996  1
  Fe  Fe54  1  0.501883  0.109298  0.544276  1
  Fe  Fe55  1  1.001883  0.001062  0.702558  1
  Fe  Fe56  1  1.001883  0.639073  0.668939  1
  Fe  Fe57  1  1.001883  0.271717  0.626873  1
  Fe  Fe58  1  1.001883  0.782939  0.703473  1
  Fe  Fe59  1  1.001883  0.429586  0.670354  1
  Fe  Fe60  1  1.001883  0.081687  0.630091  1
  Fe  Fe61  1  1.001883  0.884807  0.657376  1
  Fe  Fe62  1  1.001883  0.535172  0.612157  1
  Fe  Fe63  1  1.001883  0.251209  0.689549  1
  Fe  Fe64  1  0.501883  0.010755  0.665044  1
  Fe  Fe65  1  0.501883  0.652850  0.627981  1
  Fe  Fe66  1  0.501883  0.366024  0.701811  1
  Fe  Fe67  1  0.501883  0.130930  0.705292  1
  Fe  Fe68  1  0.501883  0.763853  0.668471  1
  Fe  Fe69  1  0.501883  0.410574  0.629991  1
  Fe  Fe70  1  0.501883  0.824091  0.619355  1
  Fe  Fe71  1  0.501883  0.531385  0.690450  1
  Fe  Fe72  1  0.501883  0.181136  0.653862  1
  P  P73  1  0.501883  0.676857  0.353317  1
  P  P74  1  0.501883  0.316103  0.319288  1
  P  P75  1  0.501883  0.965416  0.278999  1
  P  P76  1  0.501883  0.754340  0.291507  1
  P  P77  1  0.501883  0.462509  0.366243  1
  P  P78  1  0.501883  0.103816  0.330900  1
  P  P79  1  1.001883  0.890754  0.343108  1
  P  P80  1  1.001883  0.533935  0.303707  1
  P  P81  1  0.001883  0.248208  0.378260  1
  P  P82  1  0.501883  0.746773  0.465320  1
  P  P83  1  0.501883  0.390046  0.427922  1
  P  P84  1  0.501883  0.031213  0.391119  1
  P  P85  1  0.501883  0.817246  0.403689  1
  P  P86  1  0.501883  0.532514  0.477275  1
  P  P87  1  0.501883  0.175270  0.440291  1
  P  P88  1  1.001883  0.961362  0.453210  1
  P  P89  1  1.001883  0.604472  0.415610  1
  P  P90  1  1.001883  0.318483  0.489652  1
  P  P91  1  0.501883  0.818889  0.577011  1
  P  P92  1  0.501883  0.462758  0.538884  1
  P  P93  1  0.501883  0.104144  0.501926  1
  P  P94  1  0.501883  0.889399  0.514843  1
  P  P95  1  0.501883  0.607529  0.587727  1
  P  P96  1  0.501883  0.247208  0.550994  1
  P  P97  1  1.001883  0.032897  0.563846  1
  P  P98  1  1.001883  0.674798  0.526951  1
  P  P99  1  1.001883  0.390534  0.600975  1
  P  P100  1  0.501883  0.893234  0.691198  1
  P  P101  1  0.501883  0.533436  0.649201  1
  P  P102  1  0.501883  0.174884  0.612036  1
  P  P103  1  0.501883  0.959551  0.626765  1
  P  P104  1  0.501883  0.667357  0.702834  1
  P  P105  1  0.501883  0.317610  0.660605  1
  P  P106  1  1.001883  0.108785  0.673825  1
  P  P107  1  1.001883  0.747377  0.638205  1
  P  P108  1  1.001883  0.467674  0.715287  1
