# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06576414
_cell_length_b   22.17483127
_cell_length_c   49.32357087
_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   'Fe90 P45'
_cell_volume   3353.15457364
_cell_formula_units_Z   45
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  1.002272  0.207519  0.317595  1
  Fe  Fe2  1  1.002272  0.940116  0.350461  1
  Fe  Fe3  1  1.002272  0.483750  0.291400  1
  Fe  Fe4  1  1.002272  0.932780  0.279682  1
  Fe  Fe5  1  1.002272  0.657986  0.313245  1
  Fe  Fe6  1  1.002272  0.391584  0.338364  1
  Fe  Fe7  1  1.002272  0.060883  0.286715  1
  Fe  Fe8  1  1.002272  0.798195  0.316514  1
  Fe  Fe9  1  0.002272  0.540717  0.347514  1
  Fe  Fe10  1  0.502272  0.295319  0.335881  1
  Fe  Fe11  1  0.502272  0.836145  0.275833  1
  Fe  Fe12  1  0.502272  0.566444  0.307596  1
  Fe  Fe13  1  0.502272  0.258455  0.280614  1
  Fe  Fe14  1  0.502272  0.991901  0.311041  1
  Fe  Fe15  1  0.502272  0.725567  0.340490  1
  Fe  Fe16  1  0.502272  0.115245  0.326346  1
  Fe  Fe17  1  0.502272  0.845816  0.357321  1
  Fe  Fe18  1  0.502272  0.390812  0.293593  1
  Fe  Fe19  1  0.002272  0.401123  0.410405  1
  Fe  Fe20  1  1.002272  0.132992  0.440457  1
  Fe  Fe21  1  1.002272  0.668875  0.378022  1
  Fe  Fe22  1  1.002272  0.125608  0.369402  1
  Fe  Fe23  1  1.002272  0.856021  0.399762  1
  Fe  Fe24  1  0.002272  0.587029  0.429657  1
  Fe  Fe25  1  1.002272  0.262523  0.376749  1
  Fe  Fe26  1  1.002272  0.993520  0.408323  1
  Fe  Fe27  1  1.002272  0.724547  0.438254  1
  Fe  Fe28  1  0.502272  0.487732  0.428096  1
  Fe  Fe29  1  0.502272  0.026249  0.368193  1
  Fe  Fe30  1  0.502272  0.757288  0.397968  1
  Fe  Fe31  1  0.502272  0.454373  0.372324  1
  Fe  Fe32  1  0.502272  0.186447  0.401866  1
  Fe  Fe33  1  0.502272  0.917036  0.432799  1
  Fe  Fe34  1  0.502272  0.308321  0.417022  1
  Fe  Fe35  1  0.502272  0.039870  0.447703  1
  Fe  Fe36  1  0.502272  0.577460  0.388399  1
  Fe  Fe37  1  1.002272  0.593853  0.501189  1
  Fe  Fe38  1  1.002272  0.324751  0.532094  1
  Fe  Fe39  1  1.002272  0.863714  0.470824  1
  Fe  Fe40  1  1.002272  0.317307  0.460399  1
  Fe  Fe41  1  1.002272  0.049072  0.490544  1
  Fe  Fe42  1  1.002272  0.778510  0.521731  1
  Fe  Fe43  1  1.002272  0.454325  0.468612  1
  Fe  Fe44  1  1.002272  0.186095  0.498976  1
  Fe  Fe45  1  0.002272  0.916809  0.528825  1
  Fe  Fe46  1  0.502272  0.678031  0.518075  1
  Fe  Fe47  1  0.502272  0.219242  0.458549  1
  Fe  Fe48  1  0.502272  0.949700  0.488786  1
  Fe  Fe49  1  0.502272  0.647083  0.462810  1
  Fe  Fe50  1  0.502272  0.378263  0.493507  1
  Fe  Fe51  1  0.502272  0.109810  0.523535  1
  Fe  Fe52  1  0.502272  0.500577  0.508178  1
  Fe  Fe53  1  0.502272  0.231660  0.538873  1
  Fe  Fe54  1  0.502272  0.770375  0.477788  1
  Fe  Fe55  1  1.002272  0.782452  0.584965  1
  Fe  Fe56  1  1.002272  0.517418  0.621392  1
  Fe  Fe57  1  1.002272  0.055629  0.561446  1
  Fe  Fe58  1  1.002272  0.509339  0.551818  1
  Fe  Fe59  1  1.002272  0.239216  0.582708  1
  Fe  Fe60  1  0.002272  0.971230  0.611181  1
  Fe  Fe61  1  0.002272  0.648661  0.559362  1
  Fe  Fe62  1  1.002272  0.376501  0.590248  1
  Fe  Fe63  1  1.002272  0.108782  0.620273  1
  Fe  Fe64  1  0.502272  0.869245  0.608459  1
  Fe  Fe65  1  0.502272  0.409771  0.549691  1
  Fe  Fe66  1  0.502272  0.142476  0.580470  1
  Fe  Fe67  1  0.502272  0.840516  0.552835  1
  Fe  Fe68  1  0.502272  0.570052  0.584274  1
  Fe  Fe69  1  0.502272  0.300326  0.615741  1
  Fe  Fe70  1  0.502272  0.693497  0.598244  1
  Fe  Fe71  1  0.502272  0.423378  0.630002  1
  Fe  Fe72  1  0.502272  0.962382  0.568257  1
  Fe  Fe73  1  1.002272  0.969418  0.677965  1
  Fe  Fe74  1  1.002272  0.696592  0.705255  1
  Fe  Fe75  1  1.002272  0.247048  0.655890  1
  Fe  Fe76  1  1.002272  0.703050  0.643599  1
  Fe  Fe77  1  1.002272  0.427571  0.676584  1
  Fe  Fe78  1  1.002272  0.153448  0.702656  1
  Fe  Fe79  1  1.002272  0.839891  0.653330  1
  Fe  Fe80  1  1.002272  0.570498  0.681474  1
  Fe  Fe81  1  1.002272  0.311798  0.710198  1
  Fe  Fe82  1  0.502272  0.060121  0.701878  1
  Fe  Fe83  1  0.502272  0.599489  0.638831  1
  Fe  Fe84  1  0.502272  0.333496  0.671877  1
  Fe  Fe85  1  0.502272  0.029907  0.643781  1
  Fe  Fe86  1  0.502272  0.764686  0.674166  1
  Fe  Fe87  1  0.502272  0.501584  0.707595  1
  Fe  Fe88  1  0.502272  0.879813  0.688571  1
  Fe  Fe89  1  0.502272  0.609704  0.719641  1
  Fe  Fe90  1  0.502272  0.152948  0.660793  1
  P  P91  1  0.502272  0.198707  0.354422  1
  P  P92  1  0.502272  0.732432  0.291721  1
  P  P93  1  0.502272  0.469159  0.327069  1
  P  P94  1  0.502272  0.152833  0.283895  1
  P  P95  1  0.502272  0.890378  0.316487  1
  P  P96  1  0.502272  0.623099  0.347157  1
  P  P97  1  1.002272  0.315007  0.303616  1
  P  P98  1  1.002272  0.044243  0.336228  1
  P  P99  1  1.002272  0.589678  0.274415  1
  P  P100  1  0.502272  0.391048  0.446264  1
  P  P101  1  0.502272  0.929723  0.385957  1
  P  P102  1  0.502272  0.661746  0.415745  1
  P  P103  1  0.502272  0.352373  0.375299  1
  P  P104  1  0.502272  0.084535  0.406045  1
  P  P105  1  0.502272  0.815150  0.436255  1
  P  P106  1  1.002272  0.505724  0.395618  1
  P  P107  1  1.002272  0.237393  0.426021  1
  P  P108  1  1.002272  0.775047  0.365747  1
  P  P109  1  0.502272  0.582676  0.537345  1
  P  P110  1  0.502272  0.122826  0.476458  1
  P  P111  1  0.502272  0.852616  0.506508  1
  P  P112  1  0.502272  0.545130  0.466375  1
  P  P113  1  0.502272  0.276574  0.497130  1
  P  P114  1  0.502272  0.007694  0.526830  1
  P  P115  1  0.002272  0.699317  0.486495  1
  P  P116  1  1.002272  0.429576  0.517491  1
  P  P117  1  1.002272  0.968676  0.456613  1
  P  P118  1  0.502272  0.775769  0.625794  1
  P  P119  1  0.502272  0.313206  0.568332  1
  P  P120  1  0.502272  0.045295  0.597200  1
  P  P121  1  0.502272  0.735344  0.555429  1
  P  P122  1  0.502272  0.466908  0.587862  1
  P  P123  1  0.502272  0.199292  0.619883  1
  P  P124  1  1.002272  0.891250  0.577389  1
  P  P125  1  1.002272  0.623356  0.607904  1
  P  P126  1  1.002272  0.160522  0.547834  1
  P  P127  1  0.502272  0.961133  0.716800  1
  P  P128  1  0.502272  0.503530  0.658656  1
  P  P129  1  0.502272  0.234329  0.693069  1
  P  P130  1  0.502272  0.927039  0.645792  1
  P  P131  1  0.502272  0.658000  0.675238  1
  P  P132  1  0.502272  0.396214  0.712407  1
  P  P133  1  1.002272  0.078421  0.668163  1
  P  P134  1  1.002272  0.807800  0.704703  1
  P  P135  1  1.002272  0.352650  0.639131  1
