# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.72340508
_cell_length_b   12.35783188
_cell_length_c   47.35226652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.98221177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe168 P84'
_cell_volume   6510.74821724
_cell_formula_units_Z   84
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  0.933354  0.648308  0.306005  1
  Fe  Fe2  1  0.395316  0.679663  0.336476  1
  Fe  Fe3  1  0.933354  0.148308  0.306005  1
  Fe  Fe4  1  0.395316  0.179663  0.336476  1
  Fe  Fe5  1  0.817666  0.482609  0.299526  1
  Fe  Fe6  1  0.301335  0.491612  0.329901  1
  Fe  Fe7  1  0.817666  0.982609  0.299526  1
  Fe  Fe8  1  0.301335  0.991612  0.329901  1
  Fe  Fe9  1  0.138162  0.374063  0.320453  1
  Fe  Fe10  1  0.684867  0.338970  0.289971  1
  Fe  Fe11  1  0.138162  0.874063  0.320453  1
  Fe  Fe12  1  0.684867  0.838970  0.289971  1
  Fe  Fe13  1  0.162166  0.521086  0.288499  1
  Fe  Fe14  1  0.617003  0.544611  0.319178  1
  Fe  Fe15  1  0.162166  0.021086  0.288499  1
  Fe  Fe16  1  0.617003  0.044611  0.319178  1
  Fe  Fe17  1  0.498321  0.302857  0.311012  1
  Fe  Fe18  1  0.957988  0.318746  0.342013  1
  Fe  Fe19  1  0.498321  0.802857  0.311012  1
  Fe  Fe20  1  0.957988  0.818746  0.342013  1
  Fe  Fe21  1  0.734980  0.679931  0.326858  1
  Fe  Fe22  1  0.280528  0.657604  0.295866  1
  Fe  Fe23  1  0.734980  0.179931  0.326858  1
  Fe  Fe24  1  0.280528  0.157604  0.295866  1
  Fe  Fe25  1  0.870828  0.686836  0.368150  1
  Fe  Fe26  1  0.328756  0.711373  0.400076  1
  Fe  Fe27  1  0.870828  0.186836  0.368150  1
  Fe  Fe28  1  0.328756  0.211373  0.400076  1
  Fe  Fe29  1  0.768578  0.510426  0.361921  1
  Fe  Fe30  1  0.231176  0.529911  0.393285  1
  Fe  Fe31  1  0.768578  0.010426  0.361921  1
  Fe  Fe32  1  0.231176  0.029911  0.393285  1
  Fe  Fe33  1  0.033722  0.414025  0.379328  1
  Fe  Fe34  1  0.567911  0.399359  0.347253  1
  Fe  Fe35  1  0.033722  0.914025  0.379328  1
  Fe  Fe36  1  0.567911  0.899359  0.347253  1
  Fe  Fe37  1  0.087223  0.563967  0.347710  1
  Fe  Fe38  1  0.545733  0.576699  0.380443  1
  Fe  Fe39  1  0.087223  0.063967  0.347710  1
  Fe  Fe40  1  0.545733  0.076699  0.380443  1
  Fe  Fe41  1  0.419361  0.341389  0.371771  1
  Fe  Fe42  1  0.882591  0.356511  0.403044  1
  Fe  Fe43  1  0.419361  0.841389  0.371771  1
  Fe  Fe44  1  0.882591  0.856511  0.403044  1
  Fe  Fe45  1  0.665525  0.718939  0.388630  1
  Fe  Fe46  1  0.202576  0.697377  0.355103  1
  Fe  Fe47  1  0.665525  0.218939  0.388630  1
  Fe  Fe48  1  0.202576  0.197377  0.355103  1
  Fe  Fe49  1  0.790984  0.730529  0.430635  1
  Fe  Fe50  1  0.252116  0.750694  0.461932  1
  Fe  Fe51  1  0.790984  0.230529  0.430635  1
  Fe  Fe52  1  0.252116  0.250694  0.461932  1
  Fe  Fe53  1  0.693383  0.546555  0.424073  1
  Fe  Fe54  1  0.155280  0.565692  0.455340  1
  Fe  Fe55  1  0.693383  0.046555  0.424073  1
  Fe  Fe56  1  0.155280  0.065692  0.455340  1
  Fe  Fe57  1  0.956937  0.452413  0.441875  1
  Fe  Fe58  1  0.494562  0.434091  0.410960  1
  Fe  Fe59  1  0.956937  0.952413  0.441875  1
  Fe  Fe60  1  0.494562  0.934091  0.410960  1
  Fe  Fe61  1  0.007805  0.597193  0.411409  1
  Fe  Fe62  1  0.470407  0.615769  0.442836  1
  Fe  Fe63  1  0.007805  0.097193  0.411409  1
  Fe  Fe64  1  0.470407  0.115769  0.442836  1
  Fe  Fe65  1  0.343726  0.376709  0.434520  1
  Fe  Fe66  1  0.806026  0.394840  0.465484  1
  Fe  Fe67  1  0.343726  0.876709  0.434520  1
  Fe  Fe68  1  0.806026  0.894840  0.465484  1
  Fe  Fe69  1  0.589133  0.757440  0.450828  1
  Fe  Fe70  1  0.126544  0.738812  0.419883  1
  Fe  Fe71  1  0.589133  0.257440  0.450828  1
  Fe  Fe72  1  0.126544  0.238812  0.419883  1
  Fe  Fe73  1  0.715008  0.768587  0.493200  1
  Fe  Fe74  1  0.176277  0.788434  0.524397  1
  Fe  Fe75  1  0.715008  0.268587  0.493200  1
  Fe  Fe76  1  0.176277  0.288434  0.524397  1
  Fe  Fe77  1  0.617556  0.584875  0.486589  1
  Fe  Fe78  1  0.079356  0.604012  0.517836  1
  Fe  Fe79  1  0.617556  0.084875  0.486589  1
  Fe  Fe80  1  0.079356  0.104012  0.517836  1
  Fe  Fe81  1  0.881153  0.490368  0.504434  1
  Fe  Fe82  1  0.418744  0.471845  0.473186  1
  Fe  Fe83  1  0.881153  0.990368  0.504434  1
  Fe  Fe84  1  0.418744  0.971845  0.473186  1
  Fe  Fe85  1  0.932297  0.634809  0.474067  1
  Fe  Fe86  1  0.394380  0.653816  0.505338  1
  Fe  Fe87  1  0.932297  0.134809  0.474067  1
  Fe  Fe88  1  0.394380  0.153816  0.505338  1
  Fe  Fe89  1  0.267559  0.414258  0.496732  1
  Fe  Fe90  1  0.730083  0.432496  0.528023  1
  Fe  Fe91  1  0.267559  0.914258  0.496732  1
  Fe  Fe92  1  0.730083  0.932496  0.528023  1
  Fe  Fe93  1  0.513002  0.795600  0.513347  1
  Fe  Fe94  1  0.050707  0.776936  0.482096  1
  Fe  Fe95  1  0.513002  0.295600  0.513347  1
  Fe  Fe96  1  0.050707  0.276936  0.482096  1
  Fe  Fe97  1  0.639019  0.806308  0.555608  1
  Fe  Fe98  1  0.100122  0.826529  0.586939  1
  Fe  Fe99  1  0.639019  0.306308  0.555608  1
  Fe  Fe100  1  0.100122  0.326529  0.586939  1
  Fe  Fe101  1  0.541471  0.622827  0.548976  1
  Fe  Fe102  1  0.003260  0.641732  0.580403  1
  Fe  Fe103  1  0.541471  0.122827  0.548976  1
  Fe  Fe104  1  0.003260  0.141732  0.580403  1
  Fe  Fe105  1  0.806279  0.528058  0.567091  1
  Fe  Fe106  1  0.342897  0.509814  0.535642  1
  Fe  Fe107  1  0.806279  0.028058  0.567091  1
  Fe  Fe108  1  0.342897  0.009814  0.535642  1
  Fe  Fe109  1  0.856469  0.672702  0.536674  1
  Fe  Fe110  1  0.318232  0.692072  0.567729  1
  Fe  Fe111  1  0.856469  0.172702  0.536674  1
  Fe  Fe112  1  0.318232  0.192072  0.567729  1
  Fe  Fe113  1  0.191276  0.452412  0.559319  1
  Fe  Fe114  1  0.654228  0.470524  0.590032  1
  Fe  Fe115  1  0.191276  0.952412  0.559319  1
  Fe  Fe116  1  0.654228  0.970524  0.590032  1
  Fe  Fe117  1  0.436946  0.833630  0.575644  1
  Fe  Fe118  1  0.974928  0.815057  0.544726  1
  Fe  Fe119  1  0.436946  0.333630  0.575644  1
  Fe  Fe120  1  0.974928  0.315057  0.544726  1
  Fe  Fe121  1  0.563318  0.844552  0.617809  1
  Fe  Fe122  1  0.023590  0.861829  0.649700  1
  Fe  Fe123  1  0.563318  0.344552  0.617809  1
  Fe  Fe124  1  0.023590  0.361829  0.649700  1
  Fe  Fe125  1  0.465601  0.661496  0.610948  1
  Fe  Fe126  1  0.927176  0.680758  0.643555  1
  Fe  Fe127  1  0.465601  0.161496  0.610948  1
  Fe  Fe128  1  0.927176  0.180758  0.643555  1
  Fe  Fe129  1  0.729343  0.565511  0.629565  1
  Fe  Fe130  1  0.266699  0.548014  0.597752  1
  Fe  Fe131  1  0.729343  0.065511  0.629565  1
  Fe  Fe132  1  0.266699  0.048014  0.597752  1
  Fe  Fe133  1  0.781100  0.710157  0.599178  1
  Fe  Fe134  1  0.242009  0.730510  0.630204  1
  Fe  Fe135  1  0.781100  0.210157  0.599178  1
  Fe  Fe136  1  0.242009  0.230510  0.630204  1
  Fe  Fe137  1  0.114509  0.490974  0.621773  1
  Fe  Fe138  1  0.578246  0.504161  0.654452  1
  Fe  Fe139  1  0.114509  0.990974  0.621773  1
  Fe  Fe140  1  0.578246  0.004161  0.654452  1
  Fe  Fe141  1  0.362173  0.872176  0.638372  1
  Fe  Fe142  1  0.899385  0.852458  0.607547  1
  Fe  Fe143  1  0.362173  0.372176  0.638372  1
  Fe  Fe144  1  0.899385  0.352458  0.607547  1
  Fe  Fe145  1  0.487457  0.883556  0.679369  1
  Fe  Fe146  1  0.953698  0.899234  0.709152  1
  Fe  Fe147  1  0.487457  0.383556  0.679369  1
  Fe  Fe148  1  0.953698  0.399234  0.709152  1
  Fe  Fe149  1  0.394415  0.696810  0.673306  1
  Fe  Fe150  1  0.855966  0.718950  0.703061  1
  Fe  Fe151  1  0.394415  0.196810  0.673306  1
  Fe  Fe152  1  0.855966  0.218950  0.703061  1
  Fe  Fe153  1  0.646497  0.603322  0.689638  1
  Fe  Fe154  1  0.196810  0.584768  0.659366  1
  Fe  Fe155  1  0.646497  0.103322  0.689638  1
  Fe  Fe156  1  0.196810  0.084768  0.659366  1
  Fe  Fe157  1  0.704588  0.751580  0.661052  1
  Fe  Fe158  1  0.170578  0.774676  0.692873  1
  Fe  Fe159  1  0.704588  0.251580  0.661052  1
  Fe  Fe160  1  0.170578  0.274676  0.692873  1
  Fe  Fe161  1  0.044884  0.519822  0.685201  1
  Fe  Fe162  1  0.496844  0.553583  0.713524  1
  Fe  Fe163  1  0.044884  0.019822  0.685201  1
  Fe  Fe164  1  0.496844  0.053583  0.713524  1
  Fe  Fe165  1  0.286950  0.902966  0.699936  1
  Fe  Fe166  1  0.822148  0.887983  0.668755  1
  Fe  Fe167  1  0.286950  0.402966  0.699936  1
  Fe  Fe168  1  0.822148  0.387983  0.668755  1
  P  P169  1  0.932150  0.512133  0.336134  1
  P  P170  1  0.474820  0.499700  0.301396  1
  P  P171  1  0.932150  0.012133  0.336134  1
  P  P172  1  0.474820  0.999700  0.301396  1
  P  P173  1  0.324667  0.324418  0.293559  1
  P  P174  1  0.779430  0.342810  0.328844  1
  P  P175  1  0.324667  0.824418  0.293559  1
  P  P176  1  0.779430  0.842810  0.328844  1
  P  P177  1  0.099564  0.700029  0.310861  1
  P  P178  1  0.644076  0.663525  0.281159  1
  P  P179  1  0.099564  0.200029  0.310861  1
  P  P180  1  0.644076  0.163525  0.281159  1
  P  P181  1  0.852888  0.557192  0.400527  1
  P  P182  1  0.389951  0.539992  0.369091  1
  P  P183  1  0.852888  0.057192  0.400527  1
  P  P184  1  0.389951  0.039992  0.369091  1
  P  P185  1  0.238539  0.365306  0.360533  1
  P  P186  1  0.697783  0.383759  0.390558  1
  P  P187  1  0.238539  0.865306  0.360533  1
  P  P188  1  0.697783  0.883759  0.390558  1
  P  P189  1  0.046834  0.710183  0.379922  1
  P  P190  1  0.578158  0.694716  0.349695  1
  P  P191  1  0.046834  0.210183  0.379922  1
  P  P192  1  0.578158  0.194716  0.349695  1
  P  P193  1  0.775915  0.595607  0.463369  1
  P  P194  1  0.313250  0.577411  0.432148  1
  P  P195  1  0.775915  0.095607  0.463369  1
  P  P196  1  0.313250  0.077411  0.432148  1
  P  P197  1  0.159002  0.404150  0.421689  1
  P  P198  1  0.621938  0.422687  0.453152  1
  P  P199  1  0.159002  0.904150  0.421689  1
  P  P200  1  0.621938  0.922687  0.453152  1
  P  P201  1  0.967475  0.749597  0.442619  1
  P  P202  1  0.504798  0.731480  0.411430  1
  P  P203  1  0.967475  0.249597  0.442619  1
  P  P204  1  0.504798  0.231480  0.411430  1
  P  P205  1  0.699986  0.633518  0.525927  1
  P  P206  1  0.237519  0.615166  0.494762  1
  P  P207  1  0.699986  0.133518  0.525927  1
  P  P208  1  0.237519  0.115166  0.494762  1
  P  P209  1  0.083413  0.442142  0.484338  1
  P  P210  1  0.545735  0.460651  0.515513  1
  P  P211  1  0.083413  0.942142  0.484338  1
  P  P212  1  0.545735  0.960651  0.515513  1
  P  P213  1  0.891806  0.787674  0.505183  1
  P  P214  1  0.429861  0.768719  0.473955  1
  P  P215  1  0.891806  0.287674  0.505183  1
  P  P216  1  0.429861  0.268719  0.473955  1
  P  P217  1  0.624493  0.670651  0.588429  1
  P  P218  1  0.161231  0.653335  0.557305  1
  P  P219  1  0.624493  0.170651  0.588429  1
  P  P220  1  0.161231  0.153335  0.557305  1
  P  P221  1  0.007460  0.480025  0.546982  1
  P  P222  1  0.470029  0.498435  0.578030  1
  P  P223  1  0.007460  0.980025  0.546982  1
  P  P224  1  0.470029  0.998435  0.578030  1
  P  P225  1  0.816471  0.825335  0.567759  1
  P  P226  1  0.353253  0.807200  0.536308  1
  P  P227  1  0.816471  0.325335  0.567759  1
  P  P228  1  0.353253  0.307200  0.536308  1
  P  P229  1  0.547231  0.710063  0.650389  1
  P  P230  1  0.084985  0.691030  0.620216  1
  P  P231  1  0.547231  0.210063  0.650389  1
  P  P232  1  0.084985  0.191030  0.620216  1
  P  P233  1  0.931199  0.518371  0.610192  1
  P  P234  1  0.394038  0.538311  0.640107  1
  P  P235  1  0.931199  0.018371  0.610192  1
  P  P236  1  0.394038  0.038311  0.640107  1
  P  P237  1  0.737125  0.865607  0.629995  1
  P  P238  1  0.277614  0.845198  0.598820  1
  P  P239  1  0.737125  0.365607  0.629995  1
  P  P240  1  0.277614  0.345198  0.598820  1
  P  P241  1  0.475877  0.753788  0.717051  1
  P  P242  1  0.018113  0.719926  0.685278  1
  P  P243  1  0.475877  0.253788  0.717051  1
  P  P244  1  0.018113  0.219926  0.685278  1
  P  P245  1  0.849413  0.556927  0.673894  1
  P  P246  1  0.312258  0.577389  0.704578  1
  P  P247  1  0.849413  0.056927  0.673894  1
  P  P248  1  0.312258  0.077389  0.704578  1
  P  P249  1  0.665720  0.892213  0.698937  1
  P  P250  1  0.201781  0.884682  0.660988  1
  P  P251  1  0.665720  0.392213  0.698937  1
  P  P252  1  0.201781  0.384682  0.660988  1
