# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16788516
_cell_length_b   16.59365342
_cell_length_c   48.47892511
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.57018733
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe126 P63'
_cell_volume   4877.51326854
_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  0.838519  0.461218  0.319752  1
  Fe  Fe2  1  0.187835  0.131704  0.299350  1
  Fe  Fe3  1  0.494191  0.790587  0.340476  1
  Fe  Fe4  1  0.406029  0.350135  0.313329  1
  Fe  Fe5  1  0.761353  0.030474  0.293445  1
  Fe  Fe6  1  0.062242  0.670164  0.333119  1
  Fe  Fe7  1  0.811462  0.282249  0.309477  1
  Fe  Fe8  1  0.147440  0.960876  0.289038  1
  Fe  Fe9  1  0.483569  0.604141  0.328975  1
  Fe  Fe10  1  0.080766  0.403494  0.284008  1
  Fe  Fe11  1  0.410404  0.047137  0.325198  1
  Fe  Fe12  1  0.742400  0.726808  0.304462  1
  Fe  Fe13  1  0.484829  0.214166  0.336083  1
  Fe  Fe14  1  0.822122  0.891593  0.314585  1
  Fe  Fe15  1  0.160820  0.570635  0.294182  1
  Fe  Fe16  1  0.507418  0.489940  0.289488  1
  Fe  Fe17  1  0.832937  0.132682  0.331060  1
  Fe  Fe18  1  0.159693  0.810002  0.308856  1
  Fe  Fe19  1  0.836222  0.445054  0.383247  1
  Fe  Fe20  1  0.176780  0.123734  0.362150  1
  Fe  Fe21  1  0.495575  0.766294  0.404093  1
  Fe  Fe22  1  0.330063  0.303202  0.373306  1
  Fe  Fe23  1  0.672263  0.982106  0.352473  1
  Fe  Fe24  1  0.994761  0.625982  0.394695  1
  Fe  Fe25  1  0.847434  0.235780  0.368938  1
  Fe  Fe26  1  0.189328  0.913246  0.347952  1
  Fe  Fe27  1  0.503553  0.557866  0.390358  1
  Fe  Fe28  1  0.057253  0.366442  0.345386  1
  Fe  Fe29  1  0.381036  0.010169  0.387349  1
  Fe  Fe30  1  0.717049  0.689015  0.366093  1
  Fe  Fe31  1  0.462881  0.181462  0.398359  1
  Fe  Fe32  1  0.802966  0.860204  0.377455  1
  Fe  Fe33  1  0.142536  0.539900  0.356633  1
  Fe  Fe34  1  0.499573  0.454601  0.351215  1
  Fe  Fe35  1  0.823588  0.096332  0.392929  1
  Fe  Fe36  1  0.158717  0.774815  0.371614  1
  Fe  Fe37  1  0.809143  0.391428  0.444291  1
  Fe  Fe38  1  0.156062  0.072120  0.423664  1
  Fe  Fe39  1  0.469504  0.713258  0.465037  1
  Fe  Fe40  1  0.361073  0.276859  0.436893  1
  Fe  Fe41  1  0.662221  0.947996  0.415509  1
  Fe  Fe42  1  0.023332  0.599387  0.457697  1
  Fe  Fe43  1  0.790220  0.209652  0.432563  1
  Fe  Fe44  1  0.161398  0.883639  0.411292  1
  Fe  Fe45  1  0.449257  0.531012  0.453310  1
  Fe  Fe46  1  0.041696  0.331984  0.407801  1
  Fe  Fe47  1  0.363416  0.975156  0.449615  1
  Fe  Fe48  1  0.701488  0.654114  0.428719  1
  Fe  Fe49  1  0.443897  0.145228  0.460650  1
  Fe  Fe50  1  0.784541  0.824150  0.439801  1
  Fe  Fe51  1  0.124922  0.503183  0.419030  1
  Fe  Fe52  1  0.481637  0.418424  0.413718  1
  Fe  Fe53  1  0.804921  0.061729  0.455243  1
  Fe  Fe54  1  0.141901  0.740073  0.434290  1
  Fe  Fe55  1  0.791673  0.357533  0.506783  1
  Fe  Fe56  1  0.130416  0.035288  0.485682  1
  Fe  Fe57  1  0.451691  0.678964  0.527521  1
  Fe  Fe58  1  0.342850  0.241497  0.499268  1
  Fe  Fe59  1  0.682207  0.920281  0.478642  1
  Fe  Fe60  1  0.002841  0.562894  0.520002  1
  Fe  Fe61  1  0.774977  0.173662  0.494869  1
  Fe  Fe62  1  0.110540  0.852412  0.474195  1
  Fe  Fe63  1  0.435346  0.495218  0.515604  1
  Fe  Fe64  1  0.026464  0.296428  0.470419  1
  Fe  Fe65  1  0.346916  0.939510  0.512052  1
  Fe  Fe66  1  0.686405  0.618051  0.491243  1
  Fe  Fe67  1  0.426524  0.110076  0.523134  1
  Fe  Fe68  1  0.764999  0.788236  0.502344  1
  Fe  Fe69  1  0.105125  0.466918  0.481472  1
  Fe  Fe70  1  0.464360  0.383837  0.476132  1
  Fe  Fe71  1  0.786517  0.027359  0.517685  1
  Fe  Fe72  1  0.124556  0.705413  0.496903  1
  Fe  Fe73  1  0.774916  0.322224  0.568934  1
  Fe  Fe74  1  0.112396  1.000508  0.548316  1
  Fe  Fe75  1  0.433742  0.643527  0.589974  1
  Fe  Fe76  1  0.328772  0.206697  0.561808  1
  Fe  Fe77  1  0.663349  0.884336  0.540805  1
  Fe  Fe78  1  0.987889  0.528088  0.582408  1
  Fe  Fe79  1  0.756274  0.138246  0.557386  1
  Fe  Fe80  1  0.094969  0.816708  0.536407  1
  Fe  Fe81  1  0.416271  0.460319  0.578076  1
  Fe  Fe82  1  0.010015  0.261003  0.532917  1
  Fe  Fe83  1  0.328451  0.903870  0.574365  1
  Fe  Fe84  1  0.669008  0.582404  0.553740  1
  Fe  Fe85  1  0.410786  0.075022  0.585538  1
  Fe  Fe86  1  0.746543  0.752953  0.564715  1
  Fe  Fe87  1  0.087166  0.431624  0.543960  1
  Fe  Fe88  1  0.447346  0.348792  0.538605  1
  Fe  Fe89  1  0.767727  0.992153  0.580179  1
  Fe  Fe90  1  0.107379  0.670147  0.559417  1
  Fe  Fe91  1  0.755753  0.299857  0.633782  1
  Fe  Fe92  1  0.091240  0.966002  0.610593  1
  Fe  Fe93  1  0.427006  0.627818  0.654119  1
  Fe  Fe94  1  0.311933  0.171651  0.624010  1
  Fe  Fe95  1  0.645901  0.849490  0.602969  1
  Fe  Fe96  1  0.920782  0.481744  0.645025  1
  Fe  Fe97  1  0.742461  0.098652  0.619040  1
  Fe  Fe98  1  0.074583  0.781767  0.598495  1
  Fe  Fe99  1  0.439006  0.414269  0.640836  1
  Fe  Fe100  1  0.992664  0.225792  0.595143  1
  Fe  Fe101  1  0.306425  0.867763  0.637236  1
  Fe  Fe102  1  0.649314  0.546910  0.615886  1
  Fe  Fe103  1  0.389236  0.039298  0.647702  1
  Fe  Fe104  1  0.729366  0.718458  0.627322  1
  Fe  Fe105  1  0.070929  0.397149  0.606440  1
  Fe  Fe106  1  0.431349  0.313478  0.601097  1
  Fe  Fe107  1  0.750478  0.955650  0.642619  1
  Fe  Fe108  1  0.092225  0.634792  0.621599  1
  Fe  Fe109  1  0.744982  0.239138  0.693098  1
  Fe  Fe110  1  0.068184  0.929431  0.672865  1
  Fe  Fe111  1  0.400742  0.567121  0.712187  1
  Fe  Fe112  1  0.303196  0.137129  0.685371  1
  Fe  Fe113  1  0.619163  0.807889  0.665363  1
  Fe  Fe114  1  0.975616  0.465465  0.706228  1
  Fe  Fe115  1  0.719418  0.068812  0.681122  1
  Fe  Fe116  1  0.068273  0.745826  0.661571  1
  Fe  Fe117  1  0.363494  0.394621  0.701852  1
  Fe  Fe118  1  0.984018  0.192508  0.657211  1
  Fe  Fe119  1  0.292109  0.838192  0.699482  1
  Fe  Fe120  1  0.640607  0.514405  0.678273  1
  Fe  Fe121  1  0.378483  0.005763  0.709057  1
  Fe  Fe122  1  0.717214  0.681956  0.688523  1
  Fe  Fe123  1  0.054044  0.358468  0.668301  1
  Fe  Fe124  1  0.405740  0.277553  0.663433  1
  Fe  Fe125  1  0.724752  0.921508  0.704187  1
  Fe  Fe126  1  0.070298  0.601686  0.683002  1
  P  P127  1  0.688890  0.379265  0.278277  1
  P  P128  1  0.024793  0.024243  0.325702  1
  P  P129  1  0.359297  0.706318  0.298068  1
  P  P130  1  0.131618  0.238733  0.331592  1
  P  P131  1  0.472444  0.918471  0.310395  1
  P  P132  1  0.804092  0.596056  0.293883  1
  P  P133  1  0.239112  0.471562  0.320166  1
  P  P134  1  0.589643  0.153619  0.293279  1
  P  P135  1  0.898070  0.792863  0.340776  1
  P  P136  1  0.678913  0.346470  0.345815  1
  P  P137  1  0.999738  0.987709  0.385361  1
  P  P138  1  0.341053  0.668510  0.365554  1
  P  P139  1  0.108154  0.203083  0.400221  1
  P  P140  1  0.448370  0.881330  0.377640  1
  P  P141  1  0.787727  0.561321  0.356599  1
  P  P142  1  0.224458  0.435618  0.382306  1
  P  P143  1  0.565010  0.113680  0.361830  1
  P  P144  1  0.885908  0.757326  0.403002  1
  P  P145  1  0.661753  0.310914  0.405558  1
  P  P146  1  0.979776  0.952623  0.447382  1
  P  P147  1  0.322721  0.632914  0.426150  1
  P  P148  1  0.091075  0.168067  0.462155  1
  P  P149  1  0.428206  0.846030  0.442418  1
  P  P150  1  0.768954  0.524443  0.421804  1
  P  P151  1  0.207021  0.399932  0.444719  1
  P  P152  1  0.550637  0.078882  0.423987  1
  P  P153  1  0.867755  0.721634  0.465536  1
  P  P154  1  0.645057  0.275236  0.469088  1
  P  P155  1  0.965835  0.918453  0.510630  1
  P  P156  1  0.305309  0.596887  0.489747  1
  P  P157  1  0.074405  0.132735  0.524543  1
  P  P158  1  0.412286  0.810949  0.503831  1
  P  P159  1  0.752203  0.489606  0.483051  1
  P  P160  1  0.189864  0.364640  0.507242  1
  P  P161  1  0.529121  0.043065  0.486398  1
  P  P162  1  0.849938  0.685964  0.528038  1
  P  P163  1  0.627812  0.239725  0.531537  1
  P  P164  1  0.947906  0.883195  0.573167  1
  P  P165  1  0.287862  0.561500  0.552239  1
  P  P166  1  0.059416  0.097935  0.586810  1
  P  P167  1  0.394613  0.775742  0.566193  1
  P  P168  1  0.734594  0.454312  0.545429  1
  P  P169  1  0.172908  0.329580  0.569766  1
  P  P170  1  0.510584  0.007570  0.548773  1
  P  P171  1  0.832147  0.650867  0.590499  1
  P  P172  1  0.615729  0.206311  0.594634  1
  P  P173  1  0.927279  0.846668  0.636172  1
  P  P174  1  0.270945  0.525558  0.615791  1
  P  P175  1  0.038751  0.062687  0.649237  1
  P  P176  1  0.374230  0.741832  0.628541  1
  P  P177  1  0.718328  0.418945  0.607634  1
  P  P178  1  0.153450  0.294173  0.631944  1
  P  P179  1  0.489823  0.971077  0.611224  1
  P  P180  1  0.816023  0.614685  0.652226  1
  P  P181  1  0.598368  0.169103  0.656311  1
  P  P182  1  0.906409  0.809776  0.702852  1
  P  P183  1  0.255889  0.491800  0.675366  1
  P  P184  1  0.014466  0.033262  0.712467  1
  P  P185  1  0.352969  0.705067  0.695873  1
  P  P186  1  0.700975  0.378974  0.677245  1
  P  P187  1  0.142463  0.255030  0.700439  1
  P  P188  1  0.472361  0.936018  0.673418  1
  P  P189  1  0.801887  0.583261  0.719664  1
