# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86817940
_cell_length_b   12.32014607
_cell_length_c   49.24656183
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.96609799
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe108 P54'
_cell_volume   4060.84658251
_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  0.118059  0.846921  0.316178  1
  Fe  Fe2  1  0.553964  0.428378  0.294378  1
  Fe  Fe3  1  0.674160  0.078910  0.308733  1
  Fe  Fe4  1  0.081071  0.629287  0.286944  1
  Fe  Fe5  1  0.111888  0.206182  0.293404  1
  Fe  Fe6  1  0.717665  0.656441  0.317258  1
  Fe  Fe7  1  0.305827  0.036117  0.291926  1
  Fe  Fe8  1  0.885484  0.488325  0.317104  1
  Fe  Fe9  1  0.807490  0.282503  0.290415  1
  Fe  Fe10  1  0.382051  0.727192  0.315739  1
  Fe  Fe11  1  0.753878  0.866079  0.309217  1
  Fe  Fe12  1  0.172071  0.425653  0.284185  1
  Fe  Fe13  1  0.282538  0.762194  0.367808  1
  Fe  Fe14  1  0.687341  0.294195  0.339671  1
  Fe  Fe15  1  0.855813  0.966136  0.353631  1
  Fe  Fe16  1  0.282965  0.521817  0.328913  1
  Fe  Fe17  1  0.301398  0.108050  0.339365  1
  Fe  Fe18  1  0.858158  0.551252  0.368773  1
  Fe  Fe19  1  0.457889  0.936500  0.338328  1
  Fe  Fe20  1  0.044718  0.385046  0.367094  1
  Fe  Fe21  1  0.956410  0.172357  0.339630  1
  Fe  Fe22  1  0.535697  0.623246  0.364889  1
  Fe  Fe23  1  0.911958  0.768787  0.357974  1
  Fe  Fe24  1  0.335268  0.318302  0.332059  1
  Fe  Fe25  1  0.439241  0.656381  0.417387  1
  Fe  Fe26  1  0.860630  0.207747  0.392293  1
  Fe  Fe27  1  0.011321  0.862641  0.404471  1
  Fe  Fe28  1  0.432128  0.414329  0.379939  1
  Fe  Fe29  1  0.433735  0.994452  0.392499  1
  Fe  Fe30  1  0.012870  0.442330  0.417182  1
  Fe  Fe31  1  0.624717  0.832988  0.391842  1
  Fe  Fe32  1  0.202112  0.280944  0.416011  1
  Fe  Fe33  1  0.112711  0.069947  0.389261  1
  Fe  Fe34  1  0.692273  0.517931  0.415176  1
  Fe  Fe35  1  0.070250  0.662033  0.408242  1
  Fe  Fe36  1  0.491090  0.214189  0.382242  1
  Fe  Fe37  1  0.595980  0.552435  0.467223  1
  Fe  Fe38  1  0.016931  0.103887  0.441783  1
  Fe  Fe39  1  0.167333  0.758879  0.454792  1
  Fe  Fe40  1  0.588881  0.310477  0.429442  1
  Fe  Fe41  1  0.592258  0.890924  0.442047  1
  Fe  Fe42  1  0.170182  0.338005  0.466881  1
  Fe  Fe43  1  0.780632  0.729679  0.441322  1
  Fe  Fe44  1  0.358429  0.176890  0.465893  1
  Fe  Fe45  1  0.269657  0.966367  0.439742  1
  Fe  Fe46  1  0.848196  0.413892  0.464824  1
  Fe  Fe47  1  0.226780  0.557253  0.457751  1
  Fe  Fe48  1  0.647978  0.109155  0.432602  1
  Fe  Fe49  1  0.752652  0.447836  0.517011  1
  Fe  Fe50  1  0.174819  1.000371  0.492020  1
  Fe  Fe51  1  0.323649  0.654519  0.504802  1
  Fe  Fe52  1  0.744622  0.206185  0.479594  1
  Fe  Fe53  1  0.749330  0.786586  0.492022  1
  Fe  Fe54  1  0.326766  0.233490  0.516838  1
  Fe  Fe55  1  0.937587  0.625224  0.491211  1
  Fe  Fe56  1  0.513962  0.072417  0.515902  1
  Fe  Fe57  1  0.426770  0.862316  0.489919  1
  Fe  Fe58  1  0.004723  0.309748  0.514692  1
  Fe  Fe59  1  0.383456  0.453006  0.507567  1
  Fe  Fe60  1  0.804842  0.005093  0.482509  1
  Fe  Fe61  1  0.909915  0.344219  0.566949  1
  Fe  Fe62  1  0.332908  0.896185  0.542089  1
  Fe  Fe63  1  0.480960  0.549562  0.554364  1
  Fe  Fe64  1  0.901637  0.101877  0.529253  1
  Fe  Fe65  1  0.906021  0.681654  0.541940  1
  Fe  Fe66  1  0.480018  0.129497  0.566708  1
  Fe  Fe67  1  0.094097  0.520638  0.541082  1
  Fe  Fe68  1  0.670337  0.967256  0.566055  1
  Fe  Fe69  1  0.584104  0.758337  0.539828  1
  Fe  Fe70  1  0.162037  0.205436  0.564425  1
  Fe  Fe71  1  0.540096  0.348757  0.557517  1
  Fe  Fe72  1  0.962368  0.900973  0.532704  1
  Fe  Fe73  1  0.058743  0.216457  0.613591  1
  Fe  Fe74  1  0.489452  0.793246  0.592032  1
  Fe  Fe75  1  0.637374  0.445188  0.604056  1
  Fe  Fe76  1  0.047412  0.003173  0.581313  1
  Fe  Fe77  1  0.062829  0.577009  0.592062  1
  Fe  Fe78  1  0.659269  0.028596  0.615789  1
  Fe  Fe79  1  0.248810  0.415790  0.590655  1
  Fe  Fe80  1  0.825327  0.862572  0.616169  1
  Fe  Fe81  1  0.743280  0.653700  0.589610  1
  Fe  Fe82  1  0.321290  0.100753  0.614379  1
  Fe  Fe83  1  0.697091  0.245142  0.607168  1
  Fe  Fe84  1  0.119362  0.796876  0.582733  1
  Fe  Fe85  1  0.224346  0.137698  0.667875  1
  Fe  Fe86  1  0.638531  0.685546  0.642832  1
  Fe  Fe87  1  0.765868  0.346648  0.658369  1
  Fe  Fe88  1  0.217754  0.891411  0.628671  1
  Fe  Fe89  1  0.248945  0.488169  0.641020  1
  Fe  Fe90  1  0.791249  0.921674  0.668646  1
  Fe  Fe91  1  0.406558  0.308658  0.640895  1
  Fe  Fe92  1  0.975919  0.756543  0.666242  1
  Fe  Fe93  1  0.902388  0.548581  0.639260  1
  Fe  Fe94  1  0.489690  0.999645  0.665794  1
  Fe  Fe95  1  0.850690  0.137596  0.659560  1
  Fe  Fe96  1  0.276867  0.693434  0.632490  1
  Fe  Fe97  1  0.352849  0.003459  0.712489  1
  Fe  Fe98  1  0.783318  0.558053  0.687821  1
  Fe  Fe99  1  0.970775  0.247499  0.701694  1
  Fe  Fe100  1  0.363925  0.798902  0.681149  1
  Fe  Fe101  1  0.394015  0.374519  0.689266  1
  Fe  Fe102  1  0.004321  0.839488  0.714182  1
  Fe  Fe103  1  0.557622  0.209199  0.689443  1
  Fe  Fe104  1  0.137348  0.660401  0.714973  1
  Fe  Fe105  1  0.070186  0.448141  0.689721  1
  Fe  Fe106  1  0.630310  0.893774  0.714202  1
  Fe  Fe107  1  0.006636  0.038126  0.706068  1
  Fe  Fe108  1  0.424339  0.583790  0.683745  1
  P  P109  1  0.994013  0.026718  0.308970  1
  P  P110  1  0.426295  0.594293  0.284016  1
  P  P111  1  0.474827  0.220862  0.299514  1
  P  P112  1  0.894942  0.766070  0.277975  1
  P  P113  1  0.457365  0.895505  0.289665  1
  P  P114  1  0.857691  0.464373  0.267993  1
  P  P115  1  0.166833  0.928688  0.361948  1
  P  P116  1  0.587215  0.478818  0.338277  1
  P  P117  1  0.636422  0.106446  0.355022  1
  P  P118  1  0.059386  0.659540  0.331974  1
  P  P119  1  0.606495  0.796226  0.347273  1
  P  P120  1  0.030869  0.349038  0.322794  1
  P  P121  1  0.320595  0.820760  0.412717  1
  P  P122  1  0.741925  0.370847  0.387181  1
  P  P123  1  0.795126  0.003971  0.404147  1
  P  P124  1  0.219170  0.556039  0.379956  1
  P  P125  1  0.768422  0.689207  0.396655  1
  P  P126  1  0.189260  0.240339  0.371086  1
  P  P127  1  0.477453  0.716408  0.463015  1
  P  P128  1  0.898429  0.267852  0.437881  1
  P  P129  1  0.952818  0.900752  0.454494  1
  P  P130  1  0.374656  0.452295  0.429701  1
  P  P131  1  0.925214  0.584971  0.446624  1
  P  P132  1  0.346673  0.136635  0.421007  1
  P  P133  1  0.634493  0.611924  0.512900  1
  P  P134  1  0.055932  0.163737  0.487738  1
  P  P135  1  0.109138  0.796312  0.504564  1
  P  P136  1  0.530263  0.347913  0.479466  1
  P  P137  1  0.082040  0.480386  0.496284  1
  P  P138  1  0.503431  0.032649  0.471206  1
  P  P139  1  0.792118  0.507369  0.562837  1
  P  P140  1  0.210213  0.058629  0.538097  1
  P  P141  1  0.266093  0.692044  0.554517  1
  P  P142  1  0.686317  0.243706  0.529284  1
  P  P143  1  0.238886  0.375970  0.546034  1
  P  P144  1  0.661345  0.928745  0.521234  1
  P  P145  1  0.949811  0.399762  0.613541  1
  P  P146  1  0.368454  0.956111  0.588228  1
  P  P147  1  0.426213  0.588835  0.603760  1
  P  P148  1  0.839171  0.139451  0.578543  1
  P  P149  1  0.395777  0.272512  0.596229  1
  P  P150  1  0.819117  0.824036  0.571170  1
  P  P151  1  0.103703  0.298301  0.660711  1
  P  P152  1  0.527883  0.849575  0.638780  1
  P  P153  1  0.583219  0.482332  0.652683  1
  P  P154  1  1.001087  0.033093  0.629923  1
  P  P155  1  0.557462  0.164199  0.645656  1
  P  P156  1  0.972913  0.720173  0.621471  1
  P  P157  1  0.276187  0.192987  0.716656  1
  P  P158  1  0.682302  0.736600  0.692232  1
  P  P159  1  0.744283  0.376559  0.708557  1
  P  P160  1  0.160072  0.929439  0.677045  1
  P  P161  1  0.708450  0.076744  0.704864  1
  P  P162  1  0.133215  0.615835  0.671311  1
