# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16639692
_cell_length_b   17.40591328
_cell_length_c   46.14326112
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.05992271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe126 P63'
_cell_volume   4876.49408104
_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  0.090291  0.004183  0.320093  1
  Fe  Fe2  1  0.418518  0.626211  0.336838  1
  Fe  Fe3  1  0.783098  0.357963  0.300988  1
  Fe  Fe4  1  0.687516  0.881703  0.302194  1
  Fe  Fe5  1  0.946595  0.518531  0.322294  1
  Fe  Fe6  1  0.366213  0.250339  0.283407  1
  Fe  Fe7  1  0.067239  0.805042  0.292655  1
  Fe  Fe8  1  0.452673  0.460371  0.314626  1
  Fe  Fe9  1  0.754498  0.105999  0.333500  1
  Fe  Fe10  1  0.324209  0.880583  0.337757  1
  Fe  Fe11  1  0.671600  0.591588  0.296467  1
  Fe  Fe12  1  0.018417  0.243585  0.317378  1
  Fe  Fe13  1  0.738396  0.740771  0.317172  1
  Fe  Fe14  1  0.075954  0.390386  0.339049  1
  Fe  Fe15  1  0.439516  0.105375  0.297319  1
  Fe  Fe16  1  0.785467  0.026035  0.287829  1
  Fe  Fe17  1  0.091282  0.666205  0.306591  1
  Fe  Fe18  1  0.429198  0.317822  0.329298  1
  Fe  Fe19  1  0.073557  0.923610  0.378308  1
  Fe  Fe20  1  0.394750  0.567389  0.399469  1
  Fe  Fe21  1  0.754657  0.274079  0.357516  1
  Fe  Fe22  1  0.630259  0.818709  0.362214  1
  Fe  Fe23  1  0.955805  0.463775  0.385585  1
  Fe  Fe24  1  0.312712  0.170452  0.340851  1
  Fe  Fe25  1  0.069648  0.755508  0.354133  1
  Fe  Fe26  1  0.386094  0.401928  0.376702  1
  Fe  Fe27  1  0.711692  0.047204  0.396333  1
  Fe  Fe28  1  0.289362  0.819488  0.398697  1
  Fe  Fe29  1  0.636704  0.527870  0.358490  1
  Fe  Fe30  1  0.967775  0.174451  0.378754  1
  Fe  Fe31  1  0.708586  0.683290  0.379769  1
  Fe  Fe32  1  0.037316  0.327430  0.401789  1
  Fe  Fe33  1  0.400267  0.039050  0.356718  1
  Fe  Fe34  1  0.741513  0.965213  0.347109  1
  Fe  Fe35  1  0.076292  0.607627  0.369015  1
  Fe  Fe36  1  0.404174  0.252435  0.390621  1
  Fe  Fe37  1  0.042786  0.858497  0.440387  1
  Fe  Fe38  1  0.364646  0.504495  0.461942  1
  Fe  Fe39  1  0.722220  0.212095  0.420426  1
  Fe  Fe40  1  0.597917  0.754162  0.425484  1
  Fe  Fe41  1  0.922983  0.399291  0.447201  1
  Fe  Fe42  1  0.281980  0.108843  0.405804  1
  Fe  Fe43  1  0.033946  0.692999  0.416842  1
  Fe  Fe44  1  0.358215  0.337708  0.438477  1
  Fe  Fe45  1  0.681358  0.983089  0.458524  1
  Fe  Fe46  1  0.256532  0.755859  0.461536  1
  Fe  Fe47  1  0.610905  0.464906  0.420907  1
  Fe  Fe48  1  0.935177  0.109679  0.441383  1
  Fe  Fe49  1  0.679427  0.619547  0.442322  1
  Fe  Fe50  1  0.004949  0.263842  0.463525  1
  Fe  Fe51  1  0.359104  0.973304  0.421627  1
  Fe  Fe52  1  0.722413  0.899158  0.410296  1
  Fe  Fe53  1  0.044733  0.544606  0.431779  1
  Fe  Fe54  1  0.369892  0.189051  0.452811  1
  Fe  Fe55  1  0.011754  0.794840  0.503086  1
  Fe  Fe56  1  0.332680  0.440730  0.524292  1
  Fe  Fe57  1  0.689083  0.148594  0.482678  1
  Fe  Fe58  1  0.567150  0.690275  0.488116  1
  Fe  Fe59  1  0.890753  0.335357  0.509366  1
  Fe  Fe60  1  0.245951  0.044165  0.467562  1
  Fe  Fe61  1  0.002440  0.629211  0.479472  1
  Fe  Fe62  1  0.325780  0.273931  0.500608  1
  Fe  Fe63  1  0.649179  0.919444  0.521023  1
  Fe  Fe64  1  0.225557  0.692096  0.524177  1
  Fe  Fe65  1  0.580445  0.400803  0.482969  1
  Fe  Fe66  1  0.903632  0.045823  0.503614  1
  Fe  Fe67  1  0.648221  0.555528  0.504824  1
  Fe  Fe68  1  0.972275  0.200042  0.525857  1
  Fe  Fe69  1  0.327260  0.909579  0.483726  1
  Fe  Fe70  1  0.691368  0.835391  0.473001  1
  Fe  Fe71  1  0.013201  0.480669  0.494241  1
  Fe  Fe72  1  0.337256  0.125353  0.515185  1
  Fe  Fe73  1  0.980253  0.731516  0.565677  1
  Fe  Fe74  1  0.300333  0.377183  0.586474  1
  Fe  Fe75  1  0.657172  0.085104  0.545044  1
  Fe  Fe76  1  0.536368  0.626389  0.550563  1
  Fe  Fe77  1  0.859388  0.271762  0.571576  1
  Fe  Fe78  1  0.214546  0.980590  0.530008  1
  Fe  Fe79  1  0.970367  0.565312  0.541824  1
  Fe  Fe80  1  0.293537  0.210137  0.562884  1
  Fe  Fe81  1  0.618561  0.855581  0.583314  1
  Fe  Fe82  1  0.192691  0.628412  0.586039  1
  Fe  Fe83  1  0.548562  0.336849  0.545277  1
  Fe  Fe84  1  0.871907  0.981941  0.566049  1
  Fe  Fe85  1  0.615630  0.491694  0.567129  1
  Fe  Fe86  1  0.939708  0.136334  0.588326  1
  Fe  Fe87  1  0.296071  0.845896  0.546327  1
  Fe  Fe88  1  0.660251  0.771642  0.535589  1
  Fe  Fe89  1  0.980932  0.416764  0.556542  1
  Fe  Fe90  1  0.305755  0.061621  0.577827  1
  Fe  Fe91  1  0.949328  0.667731  0.628319  1
  Fe  Fe92  1  0.268013  0.315225  0.649624  1
  Fe  Fe93  1  0.623148  0.023143  0.607875  1
  Fe  Fe94  1  0.500994  0.562081  0.612764  1
  Fe  Fe95  1  0.824760  0.207331  0.633873  1
  Fe  Fe96  1  0.183425  0.916694  0.592348  1
  Fe  Fe97  1  0.935917  0.501801  0.603946  1
  Fe  Fe98  1  0.266632  0.145671  0.625084  1
  Fe  Fe99  1  0.587389  0.790202  0.647372  1
  Fe  Fe100  1  0.164227  0.563882  0.651529  1
  Fe  Fe101  1  0.516186  0.273047  0.607255  1
  Fe  Fe102  1  0.839655  0.917360  0.628486  1
  Fe  Fe103  1  0.579130  0.428741  0.630024  1
  Fe  Fe104  1  0.905525  0.072771  0.650190  1
  Fe  Fe105  1  0.266951  0.781846  0.608947  1
  Fe  Fe106  1  0.629464  0.707943  0.598134  1
  Fe  Fe107  1  0.949708  0.353142  0.618782  1
  Fe  Fe108  1  0.275074  0.997486  0.639928  1
  Fe  Fe109  1  0.903333  0.602917  0.688737  1
  Fe  Fe110  1  0.241138  0.243829  0.708630  1
  Fe  Fe111  1  0.590487  0.954655  0.668628  1
  Fe  Fe112  1  0.462283  0.499723  0.675048  1
  Fe  Fe113  1  0.812337  0.150386  0.695721  1
  Fe  Fe114  1  0.163697  0.854138  0.654136  1
  Fe  Fe115  1  0.899777  0.440626  0.666881  1
  Fe  Fe116  1  0.221300  0.085861  0.687591  1
  Fe  Fe117  1  0.611154  0.716558  0.704538  1
  Fe  Fe118  1  0.109144  0.498734  0.709936  1
  Fe  Fe119  1  0.493963  0.212733  0.669706  1
  Fe  Fe120  1  0.814016  0.856317  0.691388  1
  Fe  Fe121  1  0.551140  0.364797  0.690509  1
  Fe  Fe122  1  0.867490  0.011636  0.711140  1
  Fe  Fe123  1  0.248950  0.716851  0.670311  1
  Fe  Fe124  1  0.591937  0.643296  0.659364  1
  Fe  Fe125  1  0.910228  0.291383  0.680201  1
  Fe  Fe126  1  0.246268  0.941104  0.701994  1
  P  P127  1  0.952709  0.867718  0.333014  1
  P  P128  1  0.277783  0.566338  0.289765  1
  P  P129  1  0.646691  0.223345  0.309943  1
  P  P130  1  0.393299  0.766829  0.316825  1
  P  P131  1  0.740085  0.471603  0.276842  1
  P  P132  1  0.077484  0.131873  0.295784  1
  P  P133  1  0.461794  0.983543  0.309438  1
  P  P134  1  0.821472  0.636910  0.338230  1
  P  P135  1  0.180898  0.359148  0.290684  1
  P  P136  1  0.905251  0.800664  0.395831  1
  P  P137  1  0.254458  0.508061  0.354630  1
  P  P138  1  0.587909  0.155770  0.375198  1
  P  P139  1  0.357510  0.703393  0.381991  1
  P  P140  1  0.715548  0.411376  0.344185  1
  P  P141  1  0.043682  0.061178  0.362958  1
  P  P142  1  0.471019  0.931389  0.378809  1
  P  P143  1  0.793868  0.574917  0.400438  1
  P  P144  1  0.153692  0.283908  0.359688  1
  P  P145  1  0.875745  0.736974  0.458791  1
  P  P146  1  0.231096  0.445687  0.418006  1
  P  P147  1  0.555234  0.090595  0.438230  1
  P  P148  1  0.326593  0.640074  0.445060  1
  P  P149  1  0.684382  0.347896  0.404600  1
  P  P150  1  0.006552  0.994037  0.424151  1
  P  P151  1  0.441060  0.864966  0.441347  1
  P  P152  1  0.763082  0.511161  0.462878  1
  P  P153  1  0.120099  0.218919  0.421366  1
  P  P154  1  0.844186  0.673128  0.521398  1
  P  P155  1  0.199448  0.381870  0.480331  1
  P  P156  1  0.522340  0.026860  0.500876  1
  P  P157  1  0.295538  0.576139  0.507640  1
  P  P158  1  0.651490  0.284357  0.466626  1
  P  P159  1  0.974215  0.930174  0.486761  1
  P  P160  1  0.409581  0.801493  0.504013  1
  P  P161  1  0.730773  0.446946  0.525139  1
  P  P162  1  0.087319  0.155613  0.483746  1
  P  P163  1  0.813524  0.609320  0.583962  1
  P  P164  1  0.167365  0.317961  0.542535  1
  P  P165  1  0.491515  0.963231  0.563475  1
  P  P166  1  0.263147  0.512418  0.570259  1
  P  P167  1  0.619347  0.220543  0.528835  1
  P  P168  1  0.943754  0.866456  0.549308  1
  P  P169  1  0.379010  0.737922  0.566591  1
  P  P170  1  0.698194  0.383664  0.587557  1
  P  P171  1  0.055200  0.091776  0.546135  1
  P  P172  1  0.777597  0.545537  0.646189  1
  P  P173  1  0.136379  0.254472  0.605001  1
  P  P174  1  0.462253  0.897793  0.626162  1
  P  P175  1  0.225534  0.448462  0.632682  1
  P  P176  1  0.587648  0.156814  0.591383  1
  P  P177  1  0.911634  0.802265  0.612098  1
  P  P178  1  0.342317  0.670843  0.628601  1
  P  P179  1  0.665681  0.320382  0.649198  1
  P  P180  1  0.022468  0.027717  0.608491  1
  P  P181  1  0.721935  0.480756  0.713009  1
  P  P182  1  0.106555  0.189874  0.666989  1
  P  P183  1  0.424587  0.831132  0.694109  1
  P  P184  1  0.187055  0.379480  0.698001  1
  P  P185  1  0.552459  0.092938  0.655786  1
  P  P186  1  0.903777  0.739649  0.675343  1
  P  P187  1  0.313077  0.612572  0.698546  1
  P  P188  1  0.639335  0.256577  0.716961  1
  P  P189  1  0.990581  0.963081  0.670837  1
