# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06598638
_cell_length_b   22.19728063
_cell_length_c   49.33402165
_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   3357.50380831
_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  1.002235  0.358332  0.312640  1
  Fe  Fe2  1  1.002235  0.629876  0.341912  1
  Fe  Fe3  1  1.002235  0.097161  0.283662  1
  Fe  Fe4  1  1.002235  0.530846  0.290406  1
  Fe  Fe5  1  1.002235  0.809133  0.314055  1
  Fe  Fe6  1  1.002235  0.074774  0.344779  1
  Fe  Fe7  1  1.002235  0.474198  0.346987  1
  Fe  Fe8  1  1.002235  0.935822  0.288980  1
  Fe  Fe9  1  1.002235  0.215292  0.315029  1
  Fe  Fe10  1  0.502235  0.450381  0.307058  1
  Fe  Fe11  1  0.502235  0.722497  0.335338  1
  Fe  Fe12  1  0.502235  0.184470  0.274509  1
  Fe  Fe13  1  0.502235  0.623932  0.294815  1
  Fe  Fe14  1  0.502235  0.897241  0.326411  1
  Fe  Fe15  1  0.502235  0.168198  0.358023  1
  Fe  Fe16  1  0.502235  0.289629  0.339245  1
  Fe  Fe17  1  0.502235  0.750513  0.278996  1
  Fe  Fe18  1  0.502235  0.019603  0.306332  1
  Fe  Fe19  1  1.002235  0.168230  0.402837  1
  Fe  Fe20  1  1.002235  0.436595  0.433179  1
  Fe  Fe21  1  1.002235  0.897190  0.371620  1
  Fe  Fe22  1  1.002235  0.345844  0.374751  1
  Fe  Fe23  1  1.002235  0.616446  0.404646  1
  Fe  Fe24  1  1.002235  0.885172  0.434877  1
  Fe  Fe25  1  1.002235  0.280242  0.438780  1
  Fe  Fe26  1  1.002235  0.742864  0.377835  1
  Fe  Fe27  1  1.002235  0.010898  0.408420  1
  Fe  Fe28  1  0.502235  0.260272  0.396733  1
  Fe  Fe29  1  0.502235  0.530361  0.427273  1
  Fe  Fe30  1  0.502235  0.991547  0.366445  1
  Fe  Fe31  1  0.502235  0.436442  0.388409  1
  Fe  Fe32  1  0.502235  0.705993  0.418184  1
  Fe  Fe33  1  0.502235  0.974686  0.448137  1
  Fe  Fe34  1  0.502235  0.096562  0.431116  1
  Fe  Fe35  1  0.502235  0.559548  0.372166  1
  Fe  Fe36  1  0.502235  0.827418  0.400518  1
  Fe  Fe37  1  1.002235  0.974453  0.492884  1
  Fe  Fe38  1  1.002235  0.243556  0.523097  1
  Fe  Fe39  1  1.002235  0.706170  0.463369  1
  Fe  Fe40  1  1.002235  0.154144  0.465256  1
  Fe  Fe41  1  1.002235  0.424132  0.495629  1
  Fe  Fe42  1  1.002235  0.693585  0.526882  1
  Fe  Fe43  1  1.002235  0.086875  0.529522  1
  Fe  Fe44  1  1.002235  0.549973  0.469509  1
  Fe  Fe45  1  1.002235  0.818451  0.499593  1
  Fe  Fe46  1  0.502235  0.067334  0.487663  1
  Fe  Fe47  1  0.502235  0.338037  0.517769  1
  Fe  Fe48  1  0.502235  0.798501  0.457468  1
  Fe  Fe49  1  0.502235  0.244114  0.478484  1
  Fe  Fe50  1  0.502235  0.514098  0.509018  1
  Fe  Fe51  1  0.502235  0.782899  0.539836  1
  Fe  Fe52  1  0.502235  0.903924  0.521772  1
  Fe  Fe53  1  0.502235  0.366119  0.461493  1
  Fe  Fe54  1  0.502235  0.635301  0.491982  1
  Fe  Fe55  1  1.002235  0.783867  0.584281  1
  Fe  Fe56  1  1.002235  0.041756  0.609407  1
  Fe  Fe57  1  1.002235  0.513007  0.554154  1
  Fe  Fe58  1  1.002235  0.962316  0.558182  1
  Fe  Fe59  1  1.002235  0.232423  0.585948  1
  Fe  Fe60  1  1.002235  0.500651  0.616105  1
  Fe  Fe61  1  1.002235  0.900587  0.619582  1
  Fe  Fe62  1  1.002235  0.357471  0.559860  1
  Fe  Fe63  1  1.002235  0.626493  0.591074  1
  Fe  Fe64  1  0.502235  0.872788  0.579382  1
  Fe  Fe65  1  0.502235  0.143418  0.608109  1
  Fe  Fe66  1  0.502235  0.607612  0.548778  1
  Fe  Fe67  1  0.502235  0.052300  0.568306  1
  Fe  Fe68  1  0.502235  0.320938  0.598401  1
  Fe  Fe69  1  0.502235  0.590825  0.630146  1
  Fe  Fe70  1  0.502235  0.713002  0.614347  1
  Fe  Fe71  1  0.502235  0.172929  0.551614  1
  Fe  Fe72  1  0.502235  0.442070  0.582595  1
  Fe  Fe73  1  1.002235  0.586091  0.675785  1
  Fe  Fe74  1  1.002235  0.860517  0.702073  1
  Fe  Fe75  1  1.002235  0.309373  0.642412  1
  Fe  Fe76  1  1.002235  0.766538  0.655878  1
  Fe  Fe77  1  1.002235  0.043561  0.678000  1
  Fe  Fe78  1  1.002235  0.315895  0.704777  1
  Fe  Fe79  1  1.002235  0.700697  0.709748  1
  Fe  Fe80  1  1.002235  0.172554  0.652852  1
  Fe  Fe81  1  1.002235  0.441221  0.682099  1
  Fe  Fe82  1  0.502235  0.679690  0.671330  1
  Fe  Fe83  1  0.502235  0.953197  0.700993  1
  Fe  Fe84  1  0.502235  0.414576  0.638403  1
  Fe  Fe85  1  0.502235  0.860599  0.660951  1
  Fe  Fe86  1  0.502235  0.132886  0.688102  1
  Fe  Fe87  1  0.502235  0.403297  0.719229  1
  Fe  Fe88  1  0.502235  0.511740  0.706185  1
  Fe  Fe89  1  0.502235  0.983244  0.642588  1
  Fe  Fe90  1  0.502235  0.248135  0.673570  1
  P  P91  1  0.502235  0.393501  0.346134  1
  P  P92  1  0.502235  0.854479  0.281482  1
  P  P93  1  0.502235  0.127184  0.316505  1
  P  P94  1  0.502235  0.548525  0.327284  1
  P  P95  1  0.502235  0.816027  0.354321  1
  P  P96  1  0.502235  0.285060  0.290825  1
  P  P97  1  1.002235  0.426052  0.273662  1
  P  P98  1  1.002235  0.698972  0.303931  1
  P  P99  1  1.002235  0.970794  0.334865  1
  P  P100  1  0.502235  0.200444  0.435769  1
  P  P101  1  0.502235  0.663554  0.375002  1
  P  P102  1  0.502235  0.930926  0.405079  1
  P  P103  1  0.502235  0.353989  0.415594  1
  P  P104  1  0.502235  0.624019  0.445832  1
  P  P105  1  0.502235  0.085685  0.385369  1
  P  P106  1  1.002235  0.239336  0.364443  1
  P  P107  1  0.002235  0.507948  0.395374  1
  P  P108  1  1.002235  0.777903  0.425375  1
  P  P109  1  0.502235  0.006430  0.526454  1
  P  P110  1  0.502235  0.470231  0.465988  1
  P  P111  1  0.502235  0.738850  0.496706  1
  P  P112  1  0.502235  0.161295  0.505817  1
  P  P113  1  0.502235  0.431747  0.536454  1
  P  P114  1  0.502235  0.892213  0.475666  1
  P  P115  1  1.002235  0.046691  0.455591  1
  P  P116  1  1.002235  0.316110  0.485951  1
  P  P117  1  1.002235  0.585939  0.516855  1
  P  P118  1  0.502235  0.814087  0.620440  1
  P  P119  1  0.502235  0.276865  0.555811  1
  P  P120  1  0.502235  0.546846  0.586998  1
  P  P121  1  0.502235  0.966881  0.596135  1
  P  P122  1  0.502235  0.236911  0.625564  1
  P  P123  1  0.502235  0.701023  0.567988  1
  P  P124  1  1.002235  0.855507  0.546659  1
  P  P125  1  1.002235  0.124449  0.576626  1
  P  P126  1  1.002235  0.391843  0.607530  1
  P  P127  1  0.502235  0.616391  0.711598  1
  P  P128  1  0.502235  0.085299  0.645246  1
  P  P129  1  0.502235  0.354449  0.674624  1
  P  P130  1  0.502235  0.778740  0.693230  1
  P  P131  1  0.502235  0.051721  0.716503  1
  P  P132  1  0.502235  0.508604  0.656831  1
  P  P133  1  1.002235  0.662344  0.638332  1
  P  P134  1  1.002235  0.935364  0.667072  1
  P  P135  1  1.002235  0.205118  0.704017  1
