# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16560032
_cell_length_b   11.10206200
_cell_length_c   47.51735524
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.89910022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe84 P42'
_cell_volume   3252.59959226
_cell_formula_units_Z   42
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  0.130263  0.090776  0.306014  1
  Fe  Fe2  1  0.598604  0.562140  0.336895  1
  Fe  Fe3  1  0.760485  0.930095  0.296285  1
  Fe  Fe4  1  0.222642  0.384426  0.325498  1
  Fe  Fe5  1  0.168430  0.833520  0.289922  1
  Fe  Fe6  1  0.676944  0.294893  0.319745  1
  Fe  Fe7  1  0.387594  0.945502  0.329223  1
  Fe  Fe8  1  0.879801  0.481017  0.298318  1
  Fe  Fe9  1  0.879201  0.721562  0.313970  1
  Fe  Fe10  1  0.365263  0.267306  0.284867  1
  Fe  Fe11  1  0.769721  0.065853  0.338305  1
  Fe  Fe12  1  0.252447  0.603315  0.305291  1
  Fe  Fe13  1  0.116689  0.041132  0.369872  1
  Fe  Fe14  1  0.612994  0.502597  0.400779  1
  Fe  Fe15  1  0.683319  0.839650  0.354909  1
  Fe  Fe16  1  0.180685  0.300664  0.386864  1
  Fe  Fe17  1  0.234437  0.739696  0.348113  1
  Fe  Fe18  1  0.723631  0.203433  0.380299  1
  Fe  Fe19  1  0.377979  0.866419  0.391196  1
  Fe  Fe20  1  0.871283  0.403661  0.359702  1
  Fe  Fe21  1  0.873558  0.650543  0.376450  1
  Fe  Fe22  1  0.378971  0.186402  0.343490  1
  Fe  Fe23  1  0.774760  0.988411  0.399804  1
  Fe  Fe24  1  0.270891  0.527629  0.367915  1
  Fe  Fe25  1  0.120562  0.940590  0.430120  1
  Fe  Fe26  1  0.613275  0.400950  0.461047  1
  Fe  Fe27  1  0.689540  0.763876  0.417961  1
  Fe  Fe28  1  0.223620  0.236664  0.450069  1
  Fe  Fe29  1  0.220484  0.671193  0.411641  1
  Fe  Fe30  1  0.685141  0.139501  0.443548  1
  Fe  Fe31  1  0.376688  0.789555  0.453575  1
  Fe  Fe32  1  0.874617  0.328811  0.422372  1
  Fe  Fe33  1  0.873091  0.572902  0.438828  1
  Fe  Fe34  1  0.374152  0.111411  0.408187  1
  Fe  Fe35  1  0.774583  0.913542  0.462042  1
  Fe  Fe36  1  0.272365  0.452153  0.430679  1
  Fe  Fe37  1  0.113767  0.863071  0.492133  1
  Fe  Fe38  1  0.613026  0.326233  0.523552  1
  Fe  Fe39  1  0.723087  0.698096  0.481431  1
  Fe  Fe40  1  0.222066  0.159244  0.512235  1
  Fe  Fe41  1  0.185526  0.600613  0.474715  1
  Fe  Fe42  1  0.688329  0.061915  0.505708  1
  Fe  Fe43  1  0.378572  0.713138  0.516072  1
  Fe  Fe44  1  0.878083  0.251361  0.484708  1
  Fe  Fe45  1  0.872019  0.496120  0.501428  1
  Fe  Fe46  1  0.372229  0.033787  0.470144  1
  Fe  Fe47  1  0.773164  0.838505  0.524410  1
  Fe  Fe48  1  0.273001  0.376813  0.493186  1
  Fe  Fe49  1  0.114055  0.787604  0.554516  1
  Fe  Fe50  1  0.612314  0.249697  0.585547  1
  Fe  Fe51  1  0.724547  0.621950  0.543724  1
  Fe  Fe52  1  0.224370  0.083689  0.574555  1
  Fe  Fe53  1  0.187351  0.524105  0.537006  1
  Fe  Fe54  1  0.686270  0.985870  0.568025  1
  Fe  Fe55  1  0.378214  0.637218  0.578255  1
  Fe  Fe56  1  0.878749  0.174397  0.547066  1
  Fe  Fe57  1  0.872829  0.420669  0.563469  1
  Fe  Fe58  1  0.371960  0.957698  0.532491  1
  Fe  Fe59  1  0.772522  0.762029  0.587083  1
  Fe  Fe60  1  0.273317  0.300923  0.555534  1
  Fe  Fe61  1  0.103384  0.726747  0.619410  1
  Fe  Fe62  1  0.612526  0.201233  0.650446  1
  Fe  Fe63  1  0.724278  0.547566  0.605901  1
  Fe  Fe64  1  0.182317  0.993898  0.636124  1
  Fe  Fe65  1  0.189338  0.445637  0.598506  1
  Fe  Fe66  1  0.732630  0.892884  0.630247  1
  Fe  Fe67  1  0.380434  0.560940  0.642175  1
  Fe  Fe68  1  0.877507  0.098194  0.609095  1
  Fe  Fe69  1  0.871798  0.345236  0.626244  1
  Fe  Fe70  1  0.372848  0.881640  0.595118  1
  Fe  Fe71  1  0.764742  0.682189  0.650774  1
  Fe  Fe72  1  0.276459  0.223470  0.617458  1
  Fe  Fe73  1  0.099697  0.621689  0.677868  1
  Fe  Fe74  1  0.621436  0.083461  0.707831  1
  Fe  Fe75  1  0.693351  0.462176  0.667838  1
  Fe  Fe76  1  0.241108  0.949184  0.698747  1
  Fe  Fe77  1  0.223047  0.367846  0.661153  1
  Fe  Fe78  1  0.676491  0.841256  0.692482  1
  Fe  Fe79  1  0.381808  0.481308  0.702075  1
  Fe  Fe80  1  0.886427  0.027851  0.671299  1
  Fe  Fe81  1  0.876544  0.266122  0.686777  1
  Fe  Fe82  1  0.371326  0.807634  0.655754  1
  Fe  Fe83  1  0.772618  0.603067  0.709944  1
  Fe  Fe84  1  0.271835  0.151100  0.678444  1
  P  P85  1  0.019008  0.913823  0.329062  1
  P  P86  1  0.503619  0.459869  0.291351  1
  P  P87  1  0.515983  0.761960  0.310267  1
  P  P88  1  0.989047  0.287624  0.283730  1
  P  P89  1  0.533983  0.101101  0.299408  1
  P  P90  1  0.001186  0.565254  0.337183  1
  P  P91  1  0.007363  0.833301  0.388556  1
  P  P92  1  0.504239  0.374526  0.358838  1
  P  P93  1  0.508420  0.681374  0.377389  1
  P  P94  1  0.005766  0.219500  0.346437  1
  P  P95  1  0.507074  0.029890  0.368466  1
  P  P96  1  0.007678  0.489665  0.399325  1
  P  P97  1  0.004569  0.757511  0.450578  1
  P  P98  1  0.505977  0.298147  0.418921  1
  P  P99  1  0.506024  0.604005  0.442166  1
  P  P100  1  0.007585  0.141861  0.411247  1
  P  P101  1  0.511639  0.951089  0.430803  1
  P  P102  1  0.007640  0.413154  0.461865  1
  P  P103  1  0.007949  0.682495  0.513893  1
  P  P104  1  0.507701  0.220951  0.482572  1
  P  P105  1  0.507779  0.528619  0.503595  1
  P  P106  1  0.007494  0.066361  0.472474  1
  P  P107  1  0.508357  0.874248  0.493107  1
  P  P108  1  0.007837  0.336070  0.524176  1
  P  P109  1  0.010997  0.608785  0.577069  1
  P  P110  1  0.507766  0.144326  0.544905  1
  P  P111  1  0.509754  0.453436  0.565838  1
  P  P112  1  0.008151  0.990039  0.534669  1
  P  P113  1  0.508106  0.798546  0.555656  1
  P  P114  1  0.006694  0.260604  0.586526  1
  P  P115  1  0.006868  0.526542  0.638560  1
  P  P116  1  0.511007  0.067005  0.608218  1
  P  P117  1  0.507804  0.378097  0.627479  1
  P  P118  1  0.007989  0.913464  0.596599  1
  P  P119  1  0.505065  0.718861  0.618144  1
  P  P120  1  0.009152  0.185121  0.648041  1
  P  P121  1  0.002968  0.439541  0.704557  1
  P  P122  1  0.512887  0.992505  0.667847  1
  P  P123  1  0.505732  0.289994  0.696133  1
  P  P124  1  0.012965  0.834350  0.665217  1
  P  P125  1  0.484520  0.657654  0.685170  1
  P  P126  1  0.012586  0.113117  0.715900  1
