# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16760561
_cell_length_b   16.59282056
_cell_length_c   48.45387428
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.49704892
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe126 P63'
_cell_volume   4875.59132862
_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  0.984937  0.333661  0.334785  1
  Fe  Fe2  1  0.316723  0.655555  0.314985  1
  Fe  Fe3  1  0.635258  0.980702  0.294395  1
  Fe  Fe4  1  0.805235  0.516836  0.323277  1
  Fe  Fe5  1  0.172733  0.824531  0.302998  1
  Fe  Fe6  1  0.494110  0.154477  0.284125  1
  Fe  Fe7  1  0.478382  0.394894  0.330812  1
  Fe  Fe8  1  0.831565  0.723376  0.310845  1
  Fe  Fe9  1  0.174294  0.050619  0.290071  1
  Fe  Fe10  1  0.704677  0.265117  0.306142  1
  Fe  Fe11  1  0.038613  0.592747  0.287033  1
  Fe  Fe12  1  0.362251  0.943788  0.327883  1
  Fe  Fe13  1  0.127861  0.187494  0.311701  1
  Fe  Fe14  1  0.469116  0.508615  0.291809  1
  Fe  Fe15  1  0.793839  0.863258  0.332819  1
  Fe  Fe16  1  0.119971  0.426011  0.296449  1
  Fe  Fe17  1  0.458076  0.778605  0.338956  1
  Fe  Fe18  1  0.795374  0.100787  0.316481  1
  Fe  Fe19  1  0.959590  0.367908  0.397369  1
  Fe  Fe20  1  0.307104  0.686173  0.377092  1
  Fe  Fe21  1  0.690616  1.000252  0.355393  1
  Fe  Fe22  1  0.793469  0.551574  0.385553  1
  Fe  Fe23  1  0.122503  0.884909  0.362691  1
  Fe  Fe24  1  0.465839  0.213850  0.342102  1
  Fe  Fe25  1  0.462758  0.435566  0.393017  1
  Fe  Fe26  1  0.806316  0.758099  0.372233  1
  Fe  Fe27  1  0.104228  0.067483  0.351292  1
  Fe  Fe28  1  0.678006  0.304449  0.368511  1
  Fe  Fe29  1  0.015273  0.625634  0.348467  1
  Fe  Fe30  1  0.339256  0.983285  0.389707  1
  Fe  Fe31  1  0.122390  0.220702  0.374099  1
  Fe  Fe32  1  0.461555  0.541853  0.353537  1
  Fe  Fe33  1  0.783961  0.899416  0.395132  1
  Fe  Fe34  1  0.105900  0.454448  0.358910  1
  Fe  Fe35  1  0.433403  0.811868  0.401105  1
  Fe  Fe36  1  0.769586  0.133283  0.379887  1
  Fe  Fe37  1  0.945186  0.402881  0.459558  1
  Fe  Fe38  1  0.284368  0.724603  0.438821  1
  Fe  Fe39  1  0.621841  0.046728  0.417908  1
  Fe  Fe40  1  0.778617  0.586607  0.447807  1
  Fe  Fe41  1  0.118644  0.908514  0.427184  1
  Fe  Fe42  1  0.456716  0.229822  0.405825  1
  Fe  Fe43  1  0.445471  0.470502  0.455237  1
  Fe  Fe44  1  0.787804  0.792845  0.434419  1
  Fe  Fe45  1  0.125861  0.114477  0.413436  1
  Fe  Fe46  1  0.659919  0.339014  0.431201  1
  Fe  Fe47  1  0.001265  0.661168  0.410666  1
  Fe  Fe48  1  0.321402  0.017982  0.452098  1
  Fe  Fe49  1  0.103628  0.255989  0.436494  1
  Fe  Fe50  1  0.442481  0.577983  0.415994  1
  Fe  Fe51  1  0.764832  0.934804  0.457573  1
  Fe  Fe52  1  0.091970  0.489916  0.421663  1
  Fe  Fe53  1  0.415994  0.847057  0.463285  1
  Fe  Fe54  1  0.753585  0.168555  0.442191  1
  Fe  Fe55  1  0.925126  0.438642  0.521796  1
  Fe  Fe56  1  0.267871  0.759969  0.501333  1
  Fe  Fe57  1  0.606473  0.081547  0.480435  1
  Fe  Fe58  1  0.761838  0.621547  0.510462  1
  Fe  Fe59  1  0.100344  0.943829  0.489341  1
  Fe  Fe60  1  0.439316  0.265143  0.468407  1
  Fe  Fe61  1  0.428696  0.506622  0.517417  1
  Fe  Fe62  1  0.767564  0.827753  0.496938  1
  Fe  Fe63  1  0.106355  0.149174  0.475971  1
  Fe  Fe64  1  0.643261  0.374372  0.493632  1
  Fe  Fe65  1  0.982573  0.696260  0.473042  1
  Fe  Fe66  1  0.304423  0.053134  0.514609  1
  Fe  Fe67  1  0.085941  0.291237  0.499071  1
  Fe  Fe68  1  0.425761  0.613229  0.478480  1
  Fe  Fe69  1  0.746990  0.969724  0.520034  1
  Fe  Fe70  1  0.074833  0.525572  0.484017  1
  Fe  Fe71  1  0.397167  0.882493  0.525789  1
  Fe  Fe72  1  0.735612  0.204102  0.504751  1
  Fe  Fe73  1  0.944609  0.470107  0.584647  1
  Fe  Fe74  1  0.247186  0.795879  0.563713  1
  Fe  Fe75  1  0.584980  0.117201  0.542766  1
  Fe  Fe76  1  0.750118  0.657735  0.572581  1
  Fe  Fe77  1  0.084308  0.977570  0.551879  1
  Fe  Fe78  1  0.423187  0.299399  0.530938  1
  Fe  Fe79  1  0.382302  0.534586  0.580554  1
  Fe  Fe80  1  0.750738  0.863248  0.559341  1
  Fe  Fe81  1  0.090650  0.185531  0.538300  1
  Fe  Fe82  1  0.627190  0.410380  0.556176  1
  Fe  Fe83  1  0.964951  0.731413  0.535588  1
  Fe  Fe84  1  0.288217  0.089289  0.577087  1
  Fe  Fe85  1  0.069331  0.325943  0.561678  1
  Fe  Fe86  1  0.409687  0.647690  0.540985  1
  Fe  Fe87  1  0.729833  0.004329  0.582527  1
  Fe  Fe88  1  0.055709  0.561403  0.546494  1
  Fe  Fe89  1  0.376903  0.918097  0.588454  1
  Fe  Fe90  1  0.714763  0.240149  0.567279  1
  Fe  Fe91  1  0.944140  0.499311  0.648642  1
  Fe  Fe92  1  0.278162  0.821968  0.627411  1
  Fe  Fe93  1  0.612501  0.144079  0.605751  1
  Fe  Fe94  1  0.719264  0.709665  0.634247  1
  Fe  Fe95  1  0.057751  0.031270  0.612933  1
  Fe  Fe96  1  0.396595  0.352450  0.591821  1
  Fe  Fe97  1  0.356774  0.567479  0.644118  1
  Fe  Fe98  1  0.693248  0.889450  0.623021  1
  Fe  Fe99  1  0.035900  0.212049  0.601283  1
  Fe  Fe100  1  0.609084  0.446550  0.618379  1
  Fe  Fe101  1  0.947808  0.767555  0.597959  1
  Fe  Fe102  1  0.268635  0.126462  0.639597  1
  Fe  Fe103  1  0.053736  0.360786  0.624325  1
  Fe  Fe104  1  0.393997  0.682172  0.603466  1
  Fe  Fe105  1  0.711426  0.040838  0.645057  1
  Fe  Fe106  1  0.038278  0.596248  0.608871  1
  Fe  Fe107  1  0.357954  0.952741  0.650929  1
  Fe  Fe108  1  0.695079  0.274920  0.629784  1
  Fe  Fe109  1  0.851960  0.545824  0.707603  1
  Fe  Fe110  1  0.195404  0.868658  0.686861  1
  Fe  Fe111  1  0.544915  0.191367  0.667339  1
  Fe  Fe112  1  0.722085  0.717441  0.696951  1
  Fe  Fe113  1  0.043077  0.048201  0.676563  1
  Fe  Fe114  1  0.372678  0.377490  0.656101  1
  Fe  Fe115  1  0.397347  0.617210  0.703009  1
  Fe  Fe116  1  0.721829  0.936613  0.682947  1
  Fe  Fe117  1  0.058843  0.257046  0.663290  1
  Fe  Fe118  1  0.595838  0.478254  0.680286  1
  Fe  Fe119  1  0.936842  0.800323  0.660188  1
  Fe  Fe120  1  0.255269  0.158048  0.701953  1
  Fe  Fe121  1  0.026550  0.395322  0.686193  1
  Fe  Fe122  1  0.367248  0.718349  0.665209  1
  Fe  Fe123  1  0.683786  0.076916  0.706714  1
  Fe  Fe124  1  0.030163  0.632307  0.671256  1
  Fe  Fe125  1  0.342741  0.990457  0.712253  1
  Fe  Fe126  1  0.680747  0.311235  0.690435  1
  P  P127  1  0.761598  0.397780  0.293478  1
  P  P128  1  0.095194  0.755045  0.339900  1
  P  P129  1  0.429991  0.077216  0.320883  1
  P  P130  1  0.312622  0.293101  0.300919  1
  P  P131  1  0.647129  0.620280  0.283560  1
  P  P132  1  0.988698  0.963292  0.319418  1
  P  P133  1  0.866682  0.200890  0.343037  1
  P  P134  1  0.203176  0.523168  0.322693  1
  P  P135  1  0.554294  0.841173  0.295613  1
  P  P136  1  0.746836  0.432844  0.359816  1
  P  P137  1  0.075375  0.792372  0.401677  1
  P  P138  1  0.411920  0.111941  0.380056  1
  P  P139  1  0.298739  0.327838  0.367284  1
  P  P140  1  0.641388  0.648952  0.347009  1
  P  P141  1  0.964676  0.005130  0.388397  1
  P  P142  1  0.847672  0.237167  0.405327  1
  P  P143  1  0.185869  0.557853  0.384902  1
  P  P144  1  0.525348  0.880434  0.364283  1
  P  P145  1  0.731683  0.469114  0.422877  1
  P  P146  1  0.054742  0.825963  0.464676  1
  P  P147  1  0.393091  0.147715  0.443646  1
  P  P148  1  0.285225  0.361648  0.429710  1
  P  P149  1  0.627168  0.683845  0.409348  1
  P  P150  1  0.946271  0.040519  0.450600  1
  P  P151  1  0.830456  0.272311  0.467889  1
  P  P152  1  0.169582  0.593960  0.447339  1
  P  P153  1  0.509261  0.916047  0.426405  1
  P  P154  1  0.714607  0.504548  0.485429  1
  P  P155  1  0.036722  0.861380  0.527138  1
  P  P156  1  0.375491  0.182980  0.506229  1
  P  P157  1  0.268016  0.396928  0.492146  1
  P  P158  1  0.607962  0.718746  0.471676  1
  P  P159  1  0.928941  0.075619  0.513028  1
  P  P160  1  0.812917  0.307968  0.530427  1
  P  P161  1  0.152551  0.629533  0.509743  1
  P  P162  1  0.491308  0.951089  0.488885  1
  P  P163  1  0.694520  0.538844  0.548655  1
  P  P164  1  0.017859  0.896988  0.590723  1
  P  P165  1  0.357146  0.218862  0.569846  1
  P  P166  1  0.249071  0.432199  0.553551  1
  P  P167  1  0.589501  0.754118  0.534110  1
  P  P168  1  0.911148  0.110388  0.574281  1
  P  P169  1  0.796204  0.343653  0.592908  1
  P  P170  1  0.138190  0.665337  0.572260  1
  P  P171  1  0.473537  0.986291  0.551442  1
  P  P172  1  0.679761  0.573940  0.610855  1
  P  P173  1  0.999327  0.932767  0.650492  1
  P  P174  1  0.339588  0.254576  0.630471  1
  P  P175  1  0.233526  0.467763  0.618347  1
  P  P176  1  0.571615  0.789139  0.596067  1
  P  P177  1  0.893157  0.147421  0.639544  1
  P  P178  1  0.774909  0.379054  0.654549  1
  P  P179  1  0.117303  0.699683  0.634533  1
  P  P180  1  0.455056  0.022122  0.613928  1
  P  P181  1  0.668684  0.609219  0.670829  1
  P  P182  1  0.974856  0.966197  0.717964  1
  P  P183  1  0.319258  0.293765  0.698853  1
  P  P184  1  0.222112  0.504044  0.686863  1
  P  P185  1  0.559393  0.824653  0.664823  1
  P  P186  1  0.873768  0.184066  0.702566  1
  P  P187  1  0.756578  0.411930  0.721202  1
  P  P188  1  0.101244  0.739742  0.702934  1
  P  P189  1  0.433275  0.058552  0.676092  1
