# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16943152
_cell_length_b   17.43200015
_cell_length_c   46.08577409
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.00565525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe126 P63'
_cell_volume   4881.10635883
_cell_formula_units_Z   63
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  0.897408  0.483215  0.326333  1
  Fe  Fe2  1  0.339228  0.756056  0.288335  1
  Fe  Fe3  1  0.576483  0.129599  0.305592  1
  Fe  Fe4  1  0.742427  0.644182  0.304520  1
  Fe  Fe5  1  0.066872  0.994416  0.324790  1
  Fe  Fe6  1  0.434328  0.286976  0.284564  1
  Fe  Fe7  1  0.402098  0.541863  0.318143  1
  Fe  Fe8  1  0.741222  0.897260  0.338178  1
  Fe  Fe9  1  0.093341  0.197111  0.297183  1
  Fe  Fe10  1  0.631779  0.403867  0.301214  1
  Fe  Fe11  1  0.973090  0.757972  0.322655  1
  Fe  Fe12  1  0.273315  0.115330  0.343948  1
  Fe  Fe13  1  0.048975  0.334032  0.311345  1
  Fe  Fe14  1  0.388621  0.683820  0.333890  1
  Fe  Fe15  1  0.750987  0.976851  0.292111  1
  Fe  Fe16  1  0.049761  0.540532  0.283063  1
  Fe  Fe17  1  0.405544  0.893307  0.302844  1
  Fe  Fe18  1  0.723428  0.253828  0.322068  1
  Fe  Fe19  1  0.875214  0.542514  0.389019  1
  Fe  Fe20  1  0.238379  0.832292  0.345645  1
  Fe  Fe21  1  0.563963  0.185760  0.367610  1
  Fe  Fe22  1  0.722616  0.707691  0.365059  1
  Fe  Fe23  1  0.039706  0.064043  0.384701  1
  Fe  Fe24  1  0.389795  0.356167  0.343812  1
  Fe  Fe25  1  0.378099  0.602831  0.380295  1
  Fe  Fe26  1  0.705943  0.958099  0.400204  1
  Fe  Fe27  1  0.055523  0.248388  0.359499  1
  Fe  Fe28  1  0.590454  0.469548  0.362880  1
  Fe  Fe29  1  0.924414  0.822887  0.383959  1
  Fe  Fe30  1  0.242626  0.177088  0.404610  1
  Fe  Fe31  1  0.034125  0.393745  0.374063  1
  Fe  Fe32  1  0.362072  0.748626  0.394928  1
  Fe  Fe33  1  0.708377  0.037711  0.351769  1
  Fe  Fe34  1  0.041534  0.605286  0.341860  1
  Fe  Fe35  1  0.367136  0.958789  0.362720  1
  Fe  Fe36  1  0.684014  0.313701  0.385436  1
  Fe  Fe37  1  0.845333  0.606059  0.451128  1
  Fe  Fe38  1  0.203602  0.896632  0.409467  1
  Fe  Fe39  1  0.522818  0.251053  0.429939  1
  Fe  Fe40  1  0.688793  0.772180  0.427269  1
  Fe  Fe41  1  0.012005  0.126151  0.447703  1
  Fe  Fe42  1  0.362343  0.417970  0.406435  1
  Fe  Fe43  1  0.349654  0.667213  0.442400  1
  Fe  Fe44  1  0.674401  0.021695  0.462755  1
  Fe  Fe45  1  0.026577  0.312532  0.421263  1
  Fe  Fe46  1  0.563601  0.532311  0.425852  1
  Fe  Fe47  1  0.889925  0.887014  0.446515  1
  Fe  Fe48  1  0.211562  0.240922  0.467057  1
  Fe  Fe49  1  0.003698  0.457165  0.436441  1
  Fe  Fe50  1  0.328932  0.812436  0.457270  1
  Fe  Fe51  1  0.683493  0.102325  0.414992  1
  Fe  Fe52  1  0.005307  0.669045  0.406834  1
  Fe  Fe53  1  0.330034  0.023126  0.426909  1
  Fe  Fe54  1  0.652162  0.377396  0.447690  1
  Fe  Fe55  1  0.813401  0.669949  0.513380  1
  Fe  Fe56  1  0.169785  0.960548  0.471699  1
  Fe  Fe57  1  0.491981  0.314744  0.492404  1
  Fe  Fe58  1  0.656789  0.836028  0.489581  1
  Fe  Fe59  1  0.981005  0.189403  0.510385  1
  Fe  Fe60  1  0.331807  0.481237  0.468714  1
  Fe  Fe61  1  0.317375  0.731158  0.504704  1
  Fe  Fe62  1  0.643043  0.085486  0.525090  1
  Fe  Fe63  1  0.995023  0.376038  0.483659  1
  Fe  Fe64  1  0.532824  0.596179  0.488129  1
  Fe  Fe65  1  0.858256  0.950594  0.508936  1
  Fe  Fe66  1  0.180795  0.304434  0.529635  1
  Fe  Fe67  1  0.972589  0.521053  0.498804  1
  Fe  Fe68  1  0.296783  0.875968  0.519799  1
  Fe  Fe69  1  0.651982  0.166002  0.477800  1
  Fe  Fe70  1  0.974470  0.732734  0.468677  1
  Fe  Fe71  1  0.298096  0.086909  0.489129  1
  Fe  Fe72  1  0.620227  0.441202  0.510127  1
  Fe  Fe73  1  0.777425  0.734304  0.575712  1
  Fe  Fe74  1  0.136380  0.024153  0.534040  1
  Fe  Fe75  1  0.460796  0.378636  0.554674  1
  Fe  Fe76  1  0.625581  0.899529  0.552431  1
  Fe  Fe77  1  0.951480  0.252350  0.572853  1
  Fe  Fe78  1  0.299926  0.545054  0.531117  1
  Fe  Fe79  1  0.287161  0.795895  0.567052  1
  Fe  Fe80  1  0.606690  0.145036  0.587933  1
  Fe  Fe81  1  0.963407  0.439875  0.545928  1
  Fe  Fe82  1  0.501009  0.660520  0.550512  1
  Fe  Fe83  1  0.828462  0.014309  0.570996  1
  Fe  Fe84  1  0.149512  0.368149  0.591311  1
  Fe  Fe85  1  0.940237  0.584924  0.561127  1
  Fe  Fe86  1  0.265277  0.939397  0.582543  1
  Fe  Fe87  1  0.621694  0.229480  0.540349  1
  Fe  Fe88  1  0.940978  0.796825  0.531133  1
  Fe  Fe89  1  0.264998  0.151056  0.551533  1
  Fe  Fe90  1  0.586255  0.505252  0.572259  1
  Fe  Fe91  1  0.796712  0.789340  0.640518  1
  Fe  Fe92  1  0.119810  0.086458  0.596749  1
  Fe  Fe93  1  0.422293  0.443012  0.616692  1
  Fe  Fe94  1  0.589154  0.981012  0.612131  1
  Fe  Fe95  1  0.920958  0.314672  0.635682  1
  Fe  Fe96  1  0.267630  0.608175  0.593215  1
  Fe  Fe97  1  0.217663  0.851639  0.632001  1
  Fe  Fe98  1  0.583016  0.211439  0.652333  1
  Fe  Fe99  1  0.931567  0.504612  0.607719  1
  Fe  Fe100  1  0.468247  0.725501  0.612636  1
  Fe  Fe101  1  0.804489  0.080116  0.636158  1
  Fe  Fe102  1  0.125131  0.433956  0.656093  1
  Fe  Fe103  1  0.909016  0.648229  0.623678  1
  Fe  Fe104  1  0.220216  0.005640  0.645614  1
  Fe  Fe105  1  0.591964  0.292819  0.602779  1
  Fe  Fe106  1  0.907288  0.861413  0.593888  1
  Fe  Fe107  1  0.233896  0.216180  0.614337  1
  Fe  Fe108  1  0.545622  0.568076  0.634798  1
  Fe  Fe109  1  0.698624  0.849742  0.700173  1
  Fe  Fe110  1  0.091573  0.146523  0.659635  1
  Fe  Fe111  1  0.426639  0.497499  0.679749  1
  Fe  Fe112  1  0.530556  0.044543  0.672804  1
  Fe  Fe113  1  0.864812  0.397745  0.693212  1
  Fe  Fe114  1  0.223272  0.686657  0.653548  1
  Fe  Fe115  1  0.253675  0.924806  0.690526  1
  Fe  Fe116  1  0.568159  0.286063  0.710123  1
  Fe  Fe117  1  0.860042  0.557696  0.671579  1
  Fe  Fe118  1  0.442988  0.784165  0.674011  1
  Fe  Fe119  1  0.777475  0.145725  0.695818  1
  Fe  Fe120  1  0.069133  0.501357  0.714792  1
  Fe  Fe121  1  0.863291  0.708636  0.685557  1
  Fe  Fe122  1  0.204764  0.066009  0.705378  1
  Fe  Fe123  1  0.554784  0.356949  0.664010  1
  Fe  Fe124  1  0.879041  0.922708  0.655263  1
  Fe  Fe125  1  0.218622  0.281119  0.675338  1
  Fe  Fe126  1  0.514874  0.630091  0.695123  1
  P  P127  1  0.677663  0.525678  0.280065  1
  P  P128  1  0.037723  0.869713  0.298899  1
  P  P129  1  0.354134  0.231422  0.326089  1
  P  P130  1  0.248244  0.422516  0.295657  1
  P  P131  1  0.606586  0.778192  0.318054  1
  P  P132  1  0.904397  0.132636  0.336703  1
  P  P133  1  0.782306  0.361632  0.343146  1
  P  P134  1  0.141659  0.653799  0.294562  1
  P  P135  1  0.440130  0.011845  0.316780  1
  P  P136  1  0.671986  0.586175  0.346958  1
  P  P137  1  0.004441  0.938265  0.367055  1
  P  P138  1  0.322041  0.295526  0.387867  1
  P  P139  1  0.217469  0.488911  0.360282  1
  P  P140  1  0.549507  0.843303  0.380925  1
  P  P141  1  0.868572  0.197326  0.401354  1
  P  P142  1  0.753535  0.424515  0.405317  1
  P  P143  1  0.111366  0.712866  0.364378  1
  P  P144  1  0.435690  0.067336  0.384221  1
  P  P145  1  0.644341  0.649848  0.409114  1
  P  P146  1  0.968726  0.004327  0.429134  1
  P  P147  1  0.289449  0.358630  0.450409  1
  P  P148  1  0.190410  0.552911  0.422720  1
  P  P149  1  0.517032  0.907593  0.443357  1
  P  P150  1  0.838355  0.261208  0.464097  1
  P  P151  1  0.723542  0.487700  0.467834  1
  P  P152  1  0.080705  0.779133  0.426269  1
  P  P153  1  0.403484  0.133074  0.446660  1
  P  P154  1  0.611731  0.713884  0.471488  1
  P  P155  1  0.936200  0.067983  0.491903  1
  P  P156  1  0.257888  0.422398  0.512742  1
  P  P157  1  0.159668  0.616600  0.485272  1
  P  P158  1  0.484313  0.971055  0.505957  1
  P  P159  1  0.807073  0.324900  0.526533  1
  P  P160  1  0.691536  0.551832  0.530105  1
  P  P161  1  0.048257  0.842542  0.488736  1
  P  P162  1  0.371973  0.196725  0.509209  1
  P  P163  1  0.579910  0.778114  0.533914  1
  P  P164  1  0.903972  0.131165  0.555044  1
  P  P165  1  0.225165  0.486122  0.575277  1
  P  P166  1  0.126951  0.680851  0.547607  1
  P  P167  1  0.450425  0.035297  0.567760  1
  P  P168  1  0.776800  0.388597  0.588791  1
  P  P169  1  0.658544  0.615466  0.592495  1
  P  P170  1  0.017178  0.905994  0.551360  1
  P  P171  1  0.343440  0.259783  0.571794  1
  P  P172  1  0.545871  0.843580  0.597772  1
  P  P173  1  0.872281  0.195453  0.617654  1
  P  P174  1  0.186134  0.551977  0.638576  1
  P  P175  1  0.093679  0.744358  0.609400  1
  P  P176  1  0.420521  0.103645  0.630506  1
  P  P177  1  0.743800  0.451395  0.649421  1
  P  P178  1  0.624081  0.677155  0.653999  1
  P  P179  1  0.984106  0.971768  0.614078  1
  P  P180  1  0.306917  0.326768  0.633616  1
  P  P181  1  0.524900  0.907957  0.657998  1
  P  P182  1  0.868810  0.263189  0.682954  1
  P  P183  1  0.147413  0.619905  0.702023  1
  P  P184  1  0.069185  0.812007  0.679612  1
  P  P185  1  0.389394  0.170646  0.697672  1
  P  P186  1  0.683467  0.515967  0.717828  1
  P  P187  1  0.577901  0.736490  0.721487  1
  P  P188  1  0.923255  0.025511  0.683048  1
  P  P189  1  0.272833  0.387462  0.703353  1
