# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86787519
_cell_length_b   17.40330202
_cell_length_c   45.83507362
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.08007556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe144 P72'
_cell_volume   5478.37252289
_cell_formula_units_Z   72
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  0.093890  0.984883  0.318213  1
  Fe  Fe2  1  0.304304  0.383093  0.284764  1
  Fe  Fe3  1  0.698773  0.693173  0.302220  1
  Fe  Fe4  1  0.554635  0.144119  0.306042  1
  Fe  Fe5  1  0.973349  0.457835  0.323013  1
  Fe  Fe6  1  0.144031  0.829983  0.290686  1
  Fe  Fe7  1  0.936149  0.220642  0.287463  1
  Fe  Fe8  1  0.342155  0.536030  0.305259  1
  Fe  Fe9  1  0.769344  0.854313  0.322739  1
  Fe  Fe10  1  0.204196  0.110131  0.288826  1
  Fe  Fe11  1  0.602176  0.425706  0.307418  1
  Fe  Fe12  1  0.005162  0.738827  0.325610  1
  Fe  Fe13  1  0.598739  0.277750  0.282913  1
  Fe  Fe14  1  0.012649  0.592338  0.300603  1
  Fe  Fe15  1  0.405317  0.902963  0.319813  1
  Fe  Fe16  1  0.720272  0.996163  0.310320  1
  Fe  Fe17  1  0.125632  0.311184  0.328521  1
  Fe  Fe18  1  0.317327  0.688905  0.291315  1
  Fe  Fe19  1  0.291515  0.937198  0.374994  1
  Fe  Fe20  1  0.493992  0.296924  0.334471  1
  Fe  Fe21  1  0.885975  0.611880  0.352991  1
  Fe  Fe22  1  0.781798  0.074790  0.356267  1
  Fe  Fe23  1  0.143858  0.392476  0.379658  1
  Fe  Fe24  1  0.388926  0.764608  0.337636  1
  Fe  Fe25  1  0.169051  0.167866  0.338576  1
  Fe  Fe26  1  0.586683  0.488286  0.357391  1
  Fe  Fe27  1  0.951607  0.791627  0.379861  1
  Fe  Fe28  1  0.396263  0.051080  0.340328  1
  Fe  Fe29  1  0.798148  0.364642  0.360284  1
  Fe  Fe30  1  0.205215  0.677721  0.381237  1
  Fe  Fe31  1  0.797683  0.216427  0.337048  1
  Fe  Fe32  1  0.202179  0.529180  0.356404  1
  Fe  Fe33  1  0.600866  0.840893  0.374436  1
  Fe  Fe34  1  0.918153  0.939320  0.364447  1
  Fe  Fe35  1  0.318818  0.252375  0.382273  1
  Fe  Fe36  1  0.523412  0.626720  0.344593  1
  Fe  Fe37  1  0.490318  0.873803  0.430052  1
  Fe  Fe38  1  0.690943  0.250945  0.392415  1
  Fe  Fe39  1  0.088231  0.553360  0.410914  1
  Fe  Fe40  1  0.978933  0.013657  0.412504  1
  Fe  Fe41  1  0.378999  0.325860  0.430781  1
  Fe  Fe42  1  0.582325  0.700354  0.394432  1
  Fe  Fe43  1  0.348204  0.101867  0.397108  1
  Fe  Fe44  1  0.767378  0.417039  0.414129  1
  Fe  Fe45  1  0.150792  0.727635  0.433934  1
  Fe  Fe46  1  0.605287  0.990742  0.399470  1
  Fe  Fe47  1  0.002560  0.302688  0.417228  1
  Fe  Fe48  1  0.403732  0.615587  0.435780  1
  Fe  Fe49  1  0.997690  0.153238  0.392334  1
  Fe  Fe50  1  0.399955  0.465935  0.411402  1
  Fe  Fe51  1  0.799315  0.778304  0.430237  1
  Fe  Fe52  1  0.119359  0.876126  0.420165  1
  Fe  Fe53  1  0.518711  0.189468  0.437924  1
  Fe  Fe54  1  0.719652  0.564098  0.401064  1
  Fe  Fe55  1  0.689362  0.812160  0.485447  1
  Fe  Fe56  1  0.889283  0.187037  0.447914  1
  Fe  Fe57  1  0.291596  0.500141  0.467148  1
  Fe  Fe58  1  0.177576  0.951829  0.468193  1
  Fe  Fe59  1  0.577452  0.264476  0.486478  1
  Fe  Fe60  1  0.779672  0.638344  0.449518  1
  Fe  Fe61  1  0.549887  0.040454  0.451997  1
  Fe  Fe62  1  0.949312  0.352011  0.470888  1
  Fe  Fe63  1  0.349150  0.664777  0.489279  1
  Fe  Fe64  1  0.802403  0.929141  0.454344  1
  Fe  Fe65  1  0.202602  0.241508  0.472406  1
  Fe  Fe66  1  0.600933  0.553726  0.491062  1
  Fe  Fe67  1  0.196861  0.091806  0.448287  1
  Fe  Fe68  1  0.598079  0.404129  0.466894  1
  Fe  Fe69  1  0.996875  0.716558  0.485440  1
  Fe  Fe70  1  0.317854  0.813824  0.475184  1
  Fe  Fe71  1  0.717375  0.127198  0.493252  1
  Fe  Fe72  1  0.918221  0.501501  0.456826  1
  Fe  Fe73  1  0.888509  0.750404  0.540836  1
  Fe  Fe74  1  0.089386  0.125224  0.503530  1
  Fe  Fe75  1  0.490213  0.437862  0.522342  1
  Fe  Fe76  1  0.376261  0.889277  0.523194  1
  Fe  Fe77  1  0.776953  0.202226  0.541731  1
  Fe  Fe78  1  0.976889  0.576828  0.504915  1
  Fe  Fe79  1  0.748547  0.977772  0.507491  1
  Fe  Fe80  1  0.149001  0.290655  0.526078  1
  Fe  Fe81  1  0.543634  0.602981  0.544681  1
  Fe  Fe82  1  0.999640  0.866565  0.509757  1
  Fe  Fe83  1  0.401515  0.179665  0.528042  1
  Fe  Fe84  1  0.798779  0.491432  0.546886  1
  Fe  Fe85  1  0.395956  0.029895  0.503662  1
  Fe  Fe86  1  0.796573  0.342700  0.522426  1
  Fe  Fe87  1  0.195607  0.655020  0.540889  1
  Fe  Fe88  1  0.516256  0.751875  0.530810  1
  Fe  Fe89  1  0.916362  0.064989  0.548841  1
  Fe  Fe90  1  0.117801  0.439404  0.512419  1
  Fe  Fe91  1  0.087646  0.672613  0.593454  1
  Fe  Fe92  1  0.288492  0.063874  0.558977  1
  Fe  Fe93  1  0.687596  0.376947  0.577845  1
  Fe  Fe94  1  0.562668  0.831914  0.580773  1
  Fe  Fe95  1  0.974979  0.140438  0.596854  1
  Fe  Fe96  1  0.161633  0.519384  0.562679  1
  Fe  Fe97  1  0.943263  0.914880  0.563070  1
  Fe  Fe98  1  0.348037  0.228437  0.581755  1
  Fe  Fe99  1  0.762192  0.543386  0.599194  1
  Fe  Fe100  1  0.196463  0.803788  0.565112  1
  Fe  Fe101  1  0.598765  0.117481  0.583060  1
  Fe  Fe102  1  0.995681  0.429415  0.602563  1
  Fe  Fe103  1  0.596569  0.967461  0.558835  1
  Fe  Fe104  1  0.997781  0.280607  0.577734  1
  Fe  Fe105  1  0.396174  0.592948  0.596341  1
  Fe  Fe106  1  0.714378  0.690816  0.586215  1
  Fe  Fe107  1  0.114641  0.003837  0.603545  1
  Fe  Fe108  1  0.316262  0.377680  0.567840  1
  Fe  Fe109  1  0.284082  0.628660  0.653100  1
  Fe  Fe110  1  0.489062  0.985606  0.611063  1
  Fe  Fe111  1  0.880150  0.312547  0.634254  1
  Fe  Fe112  1  0.740718  0.771010  0.639421  1
  Fe  Fe113  1  0.145575  0.082251  0.656972  1
  Fe  Fe114  1  0.376668  0.451671  0.615474  1
  Fe  Fe115  1  0.177761  0.864087  0.617021  1
  Fe  Fe116  1  0.570746  0.176709  0.635825  1
  Fe  Fe117  1  0.937314  0.480205  0.657783  1
  Fe  Fe118  1  0.397430  0.741371  0.621289  1
  Fe  Fe119  1  0.799564  0.053785  0.638835  1
  Fe  Fe120  1  0.189259  0.365950  0.658138  1
  Fe  Fe121  1  0.798542  0.904356  0.614621  1
  Fe  Fe122  1  0.199625  0.217763  0.632831  1
  Fe  Fe123  1  0.603914  0.533166  0.653250  1
  Fe  Fe124  1  0.910242  0.626685  0.643508  1
  Fe  Fe125  1  0.312680  0.938201  0.662007  1
  Fe  Fe126  1  0.515007  0.316118  0.623111  1
  Fe  Fe127  1  0.465217  0.545465  0.703371  1
  Fe  Fe128  1  0.678868  0.930796  0.669148  1
  Fe  Fe129  1  0.076372  0.233236  0.684842  1
  Fe  Fe130  1  0.988808  0.706091  0.686673  1
  Fe  Fe131  1  0.385618  0.017540  0.704927  1
  Fe  Fe132  1  0.558811  0.397828  0.673342  1
  Fe  Fe133  1  0.359552  0.796768  0.673064  1
  Fe  Fe134  1  0.763576  0.108662  0.689619  1
  Fe  Fe135  1  0.183743  0.431957  0.708032  1
  Fe  Fe136  1  0.587288  0.681786  0.675220  1
  Fe  Fe137  1  0.996876  0.993005  0.692556  1
  Fe  Fe138  1  0.388973  0.309012  0.712063  1
  Fe  Fe139  1  0.998885  0.845191  0.669389  1
  Fe  Fe140  1  0.408313  0.156941  0.688749  1
  Fe  Fe141  1  0.786688  0.468863  0.707175  1
  Fe  Fe142  1  0.106569  0.567442  0.695839  1
  Fe  Fe143  1  0.509090  0.883051  0.713634  1
  Fe  Fe144  1  0.707001  0.250461  0.679983  1
  P  P145  1  0.894874  0.105342  0.307931  1
  P  P146  1  0.301453  0.423347  0.331481  1
  P  P147  1  0.502696  0.804837  0.288172  1
  P  P148  1  0.288068  0.240336  0.294262  1
  P  P149  1  0.701979  0.550891  0.310884  1
  P  P150  1  0.902599  0.921724  0.278595  1
  P  P151  1  0.414097  0.013762  0.288814  1
  P  P152  1  0.823666  0.335709  0.310412  1
  P  P153  1  0.987456  0.712746  0.273326  1
  P  P154  1  0.107753  0.050278  0.365907  1
  P  P155  1  0.505358  0.363458  0.384447  1
  P  P156  1  0.710199  0.736359  0.348481  1
  P  P157  1  0.506251  0.171358  0.355154  1
  P  P158  1  0.905567  0.487042  0.372690  1
  P  P159  1  0.109832  0.859340  0.338462  1
  P  P160  1  0.601848  0.956521  0.352454  1
  P  P161  1  0.003716  0.266764  0.369615  1
  P  P162  1  0.208381  0.644781  0.334206  1
  P  P163  1  0.306116  0.986318  0.422028  1
  P  P164  1  0.706437  0.299897  0.440282  1
  P  P165  1  0.909493  0.671491  0.403100  1
  P  P166  1  0.706311  0.111382  0.409441  1
  P  P167  1  0.108330  0.423243  0.429391  1
  P  P168  1  0.311386  0.797748  0.391795  1
  P  P169  1  0.806603  0.892571  0.407278  1
  P  P170  1  0.206250  0.205039  0.424970  1
  P  P171  1  0.408164  0.579824  0.388494  1
  P  P172  1  0.505250  0.924166  0.477754  1
  P  P173  1  0.905053  0.236951  0.496083  1
  P  P174  1  0.106765  0.611043  0.459081  1
  P  P175  1  0.906036  0.049541  0.465207  1
  P  P176  1  0.306641  0.361654  0.483963  1
  P  P177  1  0.508293  0.736090  0.447153  1
  P  P178  1  0.005070  0.830636  0.462714  1
  P  P179  1  0.405051  0.143612  0.480693  1
  P  P180  1  0.606601  0.517097  0.443752  1
  P  P181  1  0.702300  0.861301  0.533615  1
  P  P182  1  0.105101  0.175088  0.551570  1
  P  P183  1  0.302447  0.548854  0.515283  1
  P  P184  1  0.103956  0.987200  0.520595  1
  P  P185  1  0.505089  0.300044  0.539353  1
  P  P186  1  0.704662  0.673981  0.502389  1
  P  P187  1  0.204431  0.768497  0.517906  1
  P  P188  1  0.604553  0.081327  0.535949  1
  P  P189  1  0.805581  0.456100  0.499479  1
  P  P190  1  0.902380  0.797878  0.589827  1
  P  P191  1  0.306141  0.110558  0.607971  1
  P  P192  1  0.501418  0.488161  0.570887  1
  P  P193  1  0.300618  0.924945  0.574988  1
  P  P194  1  0.706547  0.238906  0.594075  1
  P  P195  1  0.898635  0.612160  0.557161  1
  P  P196  1  0.403740  0.707619  0.573754  1
  P  P197  1  0.802222  0.019726  0.591661  1
  P  P198  1  0.005054  0.394158  0.554983  1
  P  P199  1  0.101360  0.738915  0.642625  1
  P  P200  1  0.503272  0.049361  0.660202  1
  P  P201  1  0.703392  0.424648  0.627036  1
  P  P202  1  0.505684  0.862591  0.632046  1
  P  P203  1  0.907618  0.174959  0.648421  1
  P  P204  1  0.103031  0.549482  0.614261  1
  P  P205  1  0.605261  0.642964  0.628904  1
  P  P206  1  0.008357  0.956712  0.646376  1
  P  P207  1  0.200526  0.332519  0.610789  1
  P  P208  1  0.313495  0.678095  0.704712  1
  P  P209  1  0.721438  0.988843  0.720119  1
  P  P210  1  0.903252  0.357101  0.686255  1
  P  P211  1  0.721426  0.798130  0.692464  1
  P  P212  1  0.114346  0.111922  0.710116  1
  P  P213  1  0.302744  0.487227  0.666690  1
  P  P214  1  0.791987  0.592249  0.693347  1
  P  P215  1  0.187558  0.891507  0.709414  1
  P  P216  1  0.402643  0.269548  0.666137  1
