# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15206076
_cell_length_b   14.08458150
_cell_length_c   46.89000309
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.92051414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe108 P54'
_cell_volume   4062.97740241
_cell_formula_units_Z   54
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  0.602808  0.073557  0.315513  1
  Fe  Fe2  1  0.121406  0.653079  0.295023  1
  Fe  Fe3  1  0.231914  0.963077  0.288350  1
  Fe  Fe4  1  0.736335  0.395767  0.313191  1
  Fe  Fe5  1  0.652389  0.914901  0.274267  1
  Fe  Fe6  1  0.176492  0.334191  0.297831  1
  Fe  Fe7  1  0.868187  0.066739  0.272098  1
  Fe  Fe8  1  0.383402  0.495819  0.296460  1
  Fe  Fe9  1  0.376359  0.791320  0.286880  1
  Fe  Fe10  1  0.885299  0.222273  0.309508  1
  Fe  Fe11  1  0.267712  0.141984  0.289528  1
  Fe  Fe12  1  0.775081  0.575533  0.316691  1
  Fe  Fe13  1  0.617575  0.942079  0.368412  1
  Fe  Fe14  1  0.117196  0.497212  0.337276  1
  Fe  Fe15  1  0.181992  0.814744  0.333604  1
  Fe  Fe16  1  0.683561  0.246393  0.359014  1
  Fe  Fe17  1  0.726808  0.754519  0.317966  1
  Fe  Fe18  1  0.236014  0.184999  0.343041  1
  Fe  Fe19  1  0.879153  0.926065  0.320265  1
  Fe  Fe20  1  0.381989  0.357298  0.344677  1
  Fe  Fe21  1  0.388411  0.653533  0.333589  1
  Fe  Fe22  1  0.879453  0.081463  0.360605  1
  Fe  Fe23  1  0.271092  0.005230  0.340994  1
  Fe  Fe24  1  0.777896  0.433627  0.365597  1
  Fe  Fe25  1  0.618268  0.783032  0.413299  1
  Fe  Fe26  1  0.119829  0.369357  0.392996  1
  Fe  Fe27  1  0.230426  0.682886  0.387493  1
  Fe  Fe28  1  0.695079  0.104263  0.409987  1
  Fe  Fe29  1  0.686832  0.621825  0.371103  1
  Fe  Fe30  1  0.222812  0.046865  0.394863  1
  Fe  Fe31  1  0.877540  0.786192  0.370207  1
  Fe  Fe32  1  0.379559  0.215094  0.395182  1
  Fe  Fe33  1  0.380723  0.509043  0.386121  1
  Fe  Fe34  1  0.878862  0.938243  0.410114  1
  Fe  Fe35  1  0.275449  0.862921  0.390687  1
  Fe  Fe36  1  0.778778  0.290894  0.415457  1
  Fe  Fe37  1  0.618449  0.656808  0.467713  1
  Fe  Fe38  1  0.123790  0.213196  0.438595  1
  Fe  Fe39  1  0.187981  0.531348  0.434988  1
  Fe  Fe40  1  0.727605  0.968315  0.461685  1
  Fe  Fe41  1  0.732340  0.470557  0.418896  1
  Fe  Fe42  1  0.187114  0.907758  0.445828  1
  Fe  Fe43  1  0.880571  0.643248  0.420608  1
  Fe  Fe44  1  0.379791  0.072390  0.445182  1
  Fe  Fe45  1  0.380055  0.366731  0.435347  1
  Fe  Fe46  1  0.878278  0.795163  0.460119  1
  Fe  Fe47  1  0.276987  0.719727  0.440520  1
  Fe  Fe48  1  0.778837  0.149054  0.465451  1
  Fe  Fe49  1  0.619412  0.498588  0.513240  1
  Fe  Fe50  1  0.117400  0.069711  0.488152  1
  Fe  Fe51  1  0.230384  0.396593  0.487037  1
  Fe  Fe52  1  0.690776  0.818263  0.509738  1
  Fe  Fe53  1  0.689664  0.336025  0.471058  1
  Fe  Fe54  1  0.224868  0.760935  0.494754  1
  Fe  Fe55  1  0.881521  0.501118  0.470516  1
  Fe  Fe56  1  0.380036  0.929768  0.495076  1
  Fe  Fe57  1  0.378860  0.224111  0.485056  1
  Fe  Fe58  1  0.878757  0.653025  0.510283  1
  Fe  Fe59  1  0.277553  0.577749  0.490433  1
  Fe  Fe60  1  0.778399  0.007004  0.515120  1
  Fe  Fe61  1  0.610865  0.366231  0.566071  1
  Fe  Fe62  1  0.125133  0.930014  0.538306  1
  Fe  Fe63  1  0.229062  0.254592  0.536639  1
  Fe  Fe64  1  0.730898  0.683366  0.562232  1
  Fe  Fe65  1  0.694920  0.192057  0.520116  1
  Fe  Fe66  1  0.186193  0.622518  0.546172  1
  Fe  Fe67  1  0.884264  0.358110  0.520400  1
  Fe  Fe68  1  0.379568  0.786810  0.545306  1
  Fe  Fe69  1  0.379051  0.081789  0.534769  1
  Fe  Fe70  1  0.879896  0.510895  0.560537  1
  Fe  Fe71  1  0.276385  0.435832  0.540540  1
  Fe  Fe72  1  0.777181  0.863304  0.564886  1
  Fe  Fe73  1  0.621816  0.212917  0.612574  1
  Fe  Fe74  1  0.108935  0.792082  0.589885  1
  Fe  Fe75  1  0.230428  0.111977  0.586102  1
  Fe  Fe76  1  0.686913  0.532245  0.609707  1
  Fe  Fe77  1  0.691908  0.051660  0.570280  1
  Fe  Fe78  1  0.230327  0.471655  0.593610  1
  Fe  Fe79  1  0.885069  0.215815  0.570118  1
  Fe  Fe80  1  0.377802  0.645708  0.594965  1
  Fe  Fe81  1  0.379510  0.939394  0.584531  1
  Fe  Fe82  1  0.881211  0.368736  0.610458  1
  Fe  Fe83  1  0.277535  0.292858  0.590388  1
  Fe  Fe84  1  0.775057  0.719722  0.615280  1
  Fe  Fe85  1  0.620815  0.084321  0.667844  1
  Fe  Fe86  1  0.112117  0.659199  0.644246  1
  Fe  Fe87  1  0.188249  0.961502  0.633614  1
  Fe  Fe88  1  0.727458  0.399452  0.662771  1
  Fe  Fe89  1  0.732333  0.899847  0.617381  1
  Fe  Fe90  1  0.188608  0.340062  0.647166  1
  Fe  Fe91  1  0.884805  0.073913  0.619138  1
  Fe  Fe92  1  0.383592  0.501170  0.648434  1
  Fe  Fe93  1  0.377696  0.795432  0.634802  1
  Fe  Fe94  1  0.885061  0.226654  0.660691  1
  Fe  Fe95  1  0.278979  0.149020  0.639584  1
  Fe  Fe96  1  0.764400  0.576277  0.666938  1
  Fe  Fe97  1  0.624318  0.922537  0.708431  1
  Fe  Fe98  1  0.100517  0.503961  0.686870  1
  Fe  Fe99  1  0.229331  0.825609  0.683775  1
  Fe  Fe100  1  0.674127  0.248009  0.707504  1
  Fe  Fe101  1  0.695607  0.764104  0.669267  1
  Fe  Fe102  1  0.241750  0.185180  0.692305  1
  Fe  Fe103  1  0.888762  0.931590  0.669640  1
  Fe  Fe104  1  0.394929  0.363741  0.694054  1
  Fe  Fe105  1  0.374640  0.660173  0.683798  1
  Fe  Fe106  1  0.887825  0.080179  0.708879  1
  Fe  Fe107  1  0.274580  0.004781  0.688737  1
  Fe  Fe108  1  0.773694  0.433883  0.713787  1
  P  P109  1  0.508166  0.910960  0.317989  1
  P  P110  1  0.003115  0.490500  0.286043  1
  P  P111  1  0.996845  0.816338  0.284872  1
  P  P112  1  0.519985  0.248186  0.309969  1
  P  P113  1  0.004885  0.077035  0.315849  1
  P  P114  1  0.525491  0.647466  0.283868  1
  P  P115  1  0.508877  0.769022  0.364795  1
  P  P116  1  0.014862  0.336824  0.342161  1
  P  P117  1  0.014271  0.670070  0.341809  1
  P  P118  1  0.512895  0.101978  0.364425  1
  P  P119  1  0.009693  0.932974  0.365366  1
  P  P120  1  0.508673  0.507091  0.341252  1
  P  P121  1  0.513637  0.621809  0.416390  1
  P  P122  1  0.009626  0.196170  0.389603  1
  P  P123  1  0.015470  0.531148  0.389389  1
  P  P124  1  0.510245  0.955870  0.416110  1
  P  P125  1  0.011041  0.790759  0.415322  1
  P  P126  1  0.512401  0.361884  0.390281  1
  P  P127  1  0.513150  0.484257  0.464569  1
  P  P128  1  0.008914  0.053941  0.439400  1
  P  P129  1  0.012363  0.383371  0.441630  1
  P  P130  1  0.510804  0.817286  0.464390  1
  P  P131  1  0.012765  0.648683  0.465526  1
  P  P132  1  0.515071  0.219921  0.440309  1
  P  P133  1  0.515853  0.340174  0.515788  1
  P  P134  1  0.008667  0.907728  0.490409  1
  P  P135  1  0.014305  0.243496  0.490360  1
  P  P136  1  0.511265  0.670155  0.516212  1
  P  P137  1  0.011795  0.506153  0.515440  1
  P  P138  1  0.511859  0.077071  0.490021  1
  P  P139  1  0.515534  0.198675  0.565071  1
  P  P140  1  0.009872  0.768429  0.539719  1
  P  P141  1  0.014057  0.101768  0.539857  1
  P  P142  1  0.513687  0.532035  0.564551  1
  P  P143  1  0.009080  0.363598  0.565384  1
  P  P144  1  0.515042  0.934750  0.539964  1
  P  P145  1  0.516627  0.052033  0.615594  1
  P  P146  1  0.014404  0.623819  0.592021  1
  P  P147  1  0.014837  0.960007  0.588683  1
  P  P148  1  0.512831  0.385904  0.616086  1
  P  P149  1  0.013253  0.222231  0.615441  1
  P  P150  1  0.508257  0.792074  0.590090  1
  P  P151  1  0.516222  0.913267  0.662527  1
  P  P152  1  0.012705  0.485030  0.639757  1
  P  P153  1  0.006784  0.814137  0.640427  1
  P  P154  1  0.517695  0.242932  0.663063  1
  P  P155  1  0.012825  0.077260  0.664204  1
  P  P156  1  0.509863  0.645634  0.639727  1
  P  P157  1  0.512636  0.764948  0.717142  1
  P  P158  1  0.025907  0.330313  0.695188  1
  P  P159  1  0.996314  0.675380  0.694944  1
  P  P160  1  0.507833  0.088615  0.718831  1
  P  P161  1  0.017658  0.916911  0.717997  1
  P  P162  1  0.484037  0.516623  0.699690  1
