# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.50189068
_cell_length_b   27.90738421
_cell_length_c   47.98158974
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   18079.5806039
_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  0.376597  0.039990  0.328338  1
  Fe  Fe2  1  0.373273  0.862129  0.421484  1
  Fe  Fe3  1  0.372817  0.452209  0.375411  1
  Fe  Fe4  1  0.136931  0.837600  0.315464  1
  Fe  Fe5  1  0.128377  0.657061  0.397545  1
  Fe  Fe6  1  0.128903  0.244618  0.351594  1
  Fe  Fe7  1  0.259115  0.262278  0.416086  1
  Fe  Fe8  1  0.254009  0.849281  0.365904  1
  Fe  Fe9  1  0.253525  0.447464  0.324374  1
  Fe  Fe10  1  0.243643  0.056106  0.392134  1
  Fe  Fe11  1  0.245741  0.644470  0.343856  1
  Fe  Fe12  1  0.249897  0.228285  0.304514  1
  Fe  Fe13  1  0.872817  0.952209  0.375411  1
  Fe  Fe14  1  0.876597  0.539990  0.328338  1
  Fe  Fe15  1  0.873273  0.362129  0.421484  1
  Fe  Fe16  1  0.628377  0.157061  0.397545  1
  Fe  Fe17  1  0.628903  0.744618  0.351594  1
  Fe  Fe18  1  0.636931  0.337600  0.315464  1
  Fe  Fe19  1  0.753525  0.947464  0.324374  1
  Fe  Fe20  1  0.759115  0.762278  0.416086  1
  Fe  Fe21  1  0.754009  0.349281  0.365904  1
  Fe  Fe22  1  0.745741  0.144470  0.343856  1
  Fe  Fe23  1  0.749897  0.728285  0.304514  1
  Fe  Fe24  1  0.743643  0.556106  0.392134  1
  Fe  Fe25  1  0.373415  0.273651  0.469923  1
  Fe  Fe26  1  0.373301  0.095821  0.565817  1
  Fe  Fe27  1  0.373621  0.684239  0.517450  1
  Fe  Fe28  1  0.128449  0.068069  0.445839  1
  Fe  Fe29  1  0.128798  0.890032  0.541473  1
  Fe  Fe30  1  0.128164  0.478785  0.493960  1
  Fe  Fe31  1  0.256919  0.493812  0.559099  1
  Fe  Fe32  1  0.258544  0.083186  0.511497  1
  Fe  Fe33  1  0.258732  0.671977  0.463437  1
  Fe  Fe34  1  0.244115  0.288358  0.535922  1
  Fe  Fe35  1  0.243964  0.877490  0.487430  1
  Fe  Fe36  1  0.242996  0.466679  0.439933  1
  Fe  Fe37  1  0.873621  0.184239  0.517450  1
  Fe  Fe38  1  0.873415  0.773651  0.469923  1
  Fe  Fe39  1  0.873301  0.595821  0.565817  1
  Fe  Fe40  1  0.628798  0.390032  0.541473  1
  Fe  Fe41  1  0.628164  0.978785  0.493960  1
  Fe  Fe42  1  0.628449  0.568069  0.445839  1
  Fe  Fe43  1  0.758732  0.171977  0.463437  1
  Fe  Fe44  1  0.756919  0.993812  0.559099  1
  Fe  Fe45  1  0.758544  0.583186  0.511497  1
  Fe  Fe46  1  0.743964  0.377490  0.487430  1
  Fe  Fe47  1  0.742996  0.966679  0.439933  1
  Fe  Fe48  1  0.744115  0.788358  0.535922  1
  Fe  Fe49  1  0.367684  0.506456  0.615500  1
  Fe  Fe50  1  0.371509  0.334117  0.701212  1
  Fe  Fe51  1  0.371513  0.917857  0.661749  1
  Fe  Fe52  1  0.129157  0.299937  0.589925  1
  Fe  Fe53  1  0.130999  0.115583  0.682136  1
  Fe  Fe54  1  0.135521  0.713848  0.639018  1
  Fe  Fe55  1  0.250196  0.729427  0.688392  1
  Fe  Fe56  1  0.257418  0.316525  0.653029  1
  Fe  Fe57  1  0.257770  0.904880  0.607441  1
  Fe  Fe58  1  0.254203  0.514974  0.669134  1
  Fe  Fe59  1  0.245693  0.110021  0.630355  1
  Fe  Fe60  1  0.244627  0.698860  0.583253  1
  Fe  Fe61  1  0.871513  0.417857  0.661749  1
  Fe  Fe62  1  0.867684  0.006456  0.615500  1
  Fe  Fe63  1  0.871509  0.834117  0.701212  1
  Fe  Fe64  1  0.630999  0.615583  0.682136  1
  Fe  Fe65  1  0.635521  0.213848  0.639018  1
  Fe  Fe66  1  0.629157  0.799937  0.589925  1
  Fe  Fe67  1  0.757770  0.404880  0.607441  1
  Fe  Fe68  1  0.750196  0.229427  0.688392  1
  Fe  Fe69  1  0.757418  0.816525  0.653029  1
  Fe  Fe70  1  0.745693  0.610021  0.630355  1
  Fe  Fe71  1  0.744627  0.198860  0.583253  1
  Fe  Fe72  1  0.754203  0.014974  0.669134  1
  P  P73  1  0.375290  0.893997  0.340964  1
  P  P74  1  0.372092  0.481754  0.294833  1
  P  P75  1  0.375127  0.305124  0.388825  1
  P  P76  1  0.129365  0.099982  0.364994  1
  P  P77  1  0.128467  0.688083  0.316968  1
  P  P78  1  0.125637  0.510463  0.414091  1
  P  P79  1  0.122243  0.898112  0.344713  1
  P  P80  1  0.125944  0.481487  0.295131  1
  P  P81  1  0.126801  0.304647  0.389075  1
  P  P82  1  0.120103  0.008078  0.412169  1
  P  P83  1  0.116956  0.598638  0.363491  1
  P  P84  1  0.119679  0.184395  0.314905  1
  P  P85  1  0.124164  0.981953  0.295724  1
  P  P86  1  0.128891  0.804794  0.389548  1
  P  P87  1  0.131133  0.394631  0.340814  1
  P  P88  1  0.003905  0.201883  0.375898  1
  P  P89  1  0.007188  0.791925  0.327052  1
  P  P90  1  0.004050  0.613341  0.424269  1
  P  P91  1  0.995287  0.082647  0.306332  1
  P  P92  1  0.994542  0.907254  0.401311  1
  P  P93  1  0.997545  0.496228  0.352894  1
  P  P94  1  0.374955  0.099636  0.365445  1
  P  P95  1  0.375707  0.685662  0.317457  1
  P  P96  1  0.375936  0.510454  0.414514  1
  P  P97  1  0.250540  0.996255  0.353310  1
  P  P98  1  0.249999  0.585360  0.305684  1
  P  P99  1  0.249485  0.407281  0.400818  1
  P  P100  1  0.997702  0.999204  0.353862  1
  P  P101  1  0.999693  0.583773  0.303581  1
  P  P102  1  0.999038  0.407959  0.400173  1
  P  P103  1  0.372992  0.010979  0.412487  1
  P  P104  1  0.373868  0.600402  0.365461  1
  P  P105  1  0.377106  0.185242  0.317259  1
  P  P106  1  0.003875  0.113801  0.424347  1
  P  P107  1  0.003175  0.703928  0.375895  1
  P  P108  1  0.006895  0.290494  0.327265  1
  P  P109  1  0.252048  0.201297  0.377958  1
  P  P110  1  0.258087  0.787559  0.328856  1
  P  P111  1  0.250770  0.612618  0.424037  1
  P  P112  1  0.371917  0.981253  0.292405  1
  P  P113  1  0.382854  0.803491  0.387220  1
  P  P114  1  0.380427  0.393891  0.339215  1
  P  P115  1  0.249603  0.083733  0.305193  1
  P  P116  1  0.249435  0.909239  0.402163  1
  P  P117  1  0.247406  0.502972  0.356704  1
  P  P118  1  0.230672  0.877082  0.284108  1
  P  P119  1  0.253111  0.704697  0.378006  1
  P  P120  1  0.254969  0.293957  0.329752  1
  P  P121  1  0.872092  0.981754  0.294833  1
  P  P122  1  0.875127  0.805124  0.388825  1
  P  P123  1  0.875290  0.393997  0.340964  1
  P  P124  1  0.625637  0.010463  0.414091  1
  P  P125  1  0.629365  0.599982  0.364994  1
  P  P126  1  0.628467  0.188083  0.316968  1
  P  P127  1  0.625944  0.981487  0.295131  1
  P  P128  1  0.626801  0.804647  0.389075  1
  P  P129  1  0.622243  0.398112  0.344713  1
  P  P130  1  0.616956  0.098638  0.363491  1
  P  P131  1  0.619679  0.684395  0.314905  1
  P  P132  1  0.620103  0.508078  0.412169  1
  P  P133  1  0.631133  0.894631  0.340814  1
  P  P134  1  0.624164  0.481953  0.295724  1
  P  P135  1  0.628891  0.304794  0.389548  1
  P  P136  1  0.504050  0.113341  0.424269  1
  P  P137  1  0.503905  0.701883  0.375898  1
  P  P138  1  0.507188  0.291925  0.327052  1
  P  P139  1  0.497545  0.996228  0.352894  1
  P  P140  1  0.495287  0.582647  0.306332  1
  P  P141  1  0.494542  0.407254  0.401311  1
  P  P142  1  0.875936  0.010454  0.414514  1
  P  P143  1  0.874955  0.599636  0.365445  1
  P  P144  1  0.875707  0.185662  0.317457  1
  P  P145  1  0.749999  0.085360  0.305684  1
  P  P146  1  0.749485  0.907281  0.400818  1
  P  P147  1  0.750540  0.496255  0.353310  1
  P  P148  1  0.499693  0.083773  0.303581  1
  P  P149  1  0.499038  0.907959  0.400173  1
  P  P150  1  0.497702  0.499204  0.353862  1
  P  P151  1  0.873868  0.100402  0.365461  1
  P  P152  1  0.877106  0.685242  0.317259  1
  P  P153  1  0.872992  0.510979  0.412487  1
  P  P154  1  0.503175  0.203928  0.375895  1
  P  P155  1  0.506895  0.790494  0.327265  1
  P  P156  1  0.503875  0.613801  0.424347  1
  P  P157  1  0.750770  0.112618  0.424037  1
  P  P158  1  0.752048  0.701297  0.377958  1
  P  P159  1  0.758087  0.287559  0.328856  1
  P  P160  1  0.880427  0.893891  0.339215  1
  P  P161  1  0.871917  0.481253  0.292405  1
  P  P162  1  0.882854  0.303491  0.387220  1
  P  P163  1  0.747406  0.002972  0.356704  1
  P  P164  1  0.749603  0.583733  0.305193  1
  P  P165  1  0.749435  0.409239  0.402163  1
  P  P166  1  0.753111  0.204697  0.378006  1
  P  P167  1  0.754969  0.793957  0.329752  1
  P  P168  1  0.730672  0.377082  0.284108  1
  P  P169  1  0.375208  0.126969  0.485621  1
  P  P170  1  0.374798  0.715775  0.437174  1
  P  P171  1  0.374603  0.537539  0.533148  1
  P  P172  1  0.127071  0.331934  0.509524  1
  P  P173  1  0.127389  0.921122  0.461484  1
  P  P174  1  0.126913  0.743196  0.557387  1
  P  P175  1  0.126519  0.126711  0.485324  1
  P  P176  1  0.126292  0.715295  0.437333  1
  P  P177  1  0.125616  0.537713  0.532851  1
  P  P178  1  0.119356  0.241091  0.555811  1
  P  P179  1  0.119910  0.830288  0.507745  1
  P  P180  1  0.118720  0.419321  0.459982  1
  P  P181  1  0.128815  0.216713  0.436366  1
  P  P182  1  0.128933  0.038399  0.532125  1
  P  P183  1  0.128845  0.627383  0.484089  1
  P  P184  1  0.004061  0.434588  0.520293  1
  P  P185  1  0.005458  0.023911  0.472649  1
  P  P186  1  0.005809  0.845717  0.568295  1
  P  P187  1  0.997634  0.318349  0.448175  1
  P  P188  1  0.996902  0.140044  0.544257  1
  P  P189  1  0.997249  0.729398  0.496564  1
  P  P190  1  0.375668  0.331921  0.509439  1
  P  P191  1  0.375761  0.920993  0.461142  1
  P  P192  1  0.376126  0.742826  0.556776  1
  P  P193  1  0.250472  0.229386  0.496158  1
  P  P194  1  0.251090  0.818016  0.448057  1
  P  P195  1  0.250331  0.640330  0.543712  1
  P  P196  1  0.999352  0.229904  0.496161  1
  P  P197  1  0.999225  0.819059  0.448661  1
  P  P198  1  0.999756  0.641069  0.544412  1
  P  P199  1  0.373415  0.244018  0.556549  1
  P  P200  1  0.373200  0.832738  0.507996  1
  P  P201  1  0.372447  0.421843  0.460702  1
  P  P202  1  0.002041  0.345824  0.568316  1
  P  P203  1  0.002841  0.935329  0.520232  1
  P  P204  1  0.001934  0.524659  0.472466  1
  P  P205  1  0.251192  0.434433  0.519935  1
  P  P206  1  0.251814  0.023760  0.472158  1
  P  P207  1  0.252194  0.846239  0.567640  1
  P  P208  1  0.383373  0.214380  0.436001  1
  P  P209  1  0.382358  0.035947  0.531740  1
  P  P210  1  0.382628  0.624789  0.483522  1
  P  P211  1  0.248644  0.321429  0.450055  1
  P  P212  1  0.248856  0.143434  0.545953  1
  P  P213  1  0.248429  0.732095  0.497785  1
  P  P214  1  0.253941  0.115608  0.426510  1
  P  P215  1  0.253657  0.937833  0.521760  1
  P  P216  1  0.252993  0.526784  0.474211  1
  P  P217  1  0.874798  0.215775  0.437174  1
  P  P218  1  0.874603  0.037539  0.533148  1
  P  P219  1  0.875208  0.626969  0.485621  1
  P  P220  1  0.626913  0.243196  0.557387  1
  P  P221  1  0.627071  0.831934  0.509524  1
  P  P222  1  0.627389  0.421122  0.461484  1
  P  P223  1  0.626292  0.215295  0.437333  1
  P  P224  1  0.625616  0.037713  0.532851  1
  P  P225  1  0.626519  0.626711  0.485324  1
  P  P226  1  0.619910  0.330288  0.507745  1
  P  P227  1  0.618720  0.919321  0.459982  1
  P  P228  1  0.619356  0.741091  0.555811  1
  P  P229  1  0.628845  0.127383  0.484089  1
  P  P230  1  0.628815  0.716713  0.436366  1
  P  P231  1  0.628933  0.538399  0.532125  1
  P  P232  1  0.505809  0.345717  0.568295  1
  P  P233  1  0.504061  0.934588  0.520293  1
  P  P234  1  0.505458  0.523911  0.472649  1
  P  P235  1  0.497249  0.229398  0.496564  1
  P  P236  1  0.497634  0.818349  0.448175  1
  P  P237  1  0.496902  0.640044  0.544257  1
  P  P238  1  0.876126  0.242826  0.556776  1
  P  P239  1  0.875668  0.831921  0.509439  1
  P  P240  1  0.875761  0.420993  0.461142  1
  P  P241  1  0.751090  0.318016  0.448057  1
  P  P242  1  0.750331  0.140330  0.543712  1
  P  P243  1  0.750472  0.729386  0.496158  1
  P  P244  1  0.499225  0.319059  0.448661  1
  P  P245  1  0.499756  0.141069  0.544412  1
  P  P246  1  0.499352  0.729904  0.496161  1
  P  P247  1  0.873200  0.332738  0.507996  1
  P  P248  1  0.872447  0.921843  0.460702  1
  P  P249  1  0.873415  0.744018  0.556549  1
  P  P250  1  0.502841  0.435329  0.520232  1
  P  P251  1  0.501934  0.024659  0.472466  1
  P  P252  1  0.502041  0.845824  0.568316  1
  P  P253  1  0.752194  0.346239  0.567640  1
  P  P254  1  0.751192  0.934433  0.519935  1
  P  P255  1  0.751814  0.523760  0.472158  1
  P  P256  1  0.882628  0.124789  0.483522  1
  P  P257  1  0.883373  0.714380  0.436001  1
  P  P258  1  0.882358  0.535947  0.531740  1
  P  P259  1  0.748429  0.232095  0.497785  1
  P  P260  1  0.748644  0.821429  0.450055  1
  P  P261  1  0.748856  0.643434  0.545953  1
  P  P262  1  0.753657  0.437833  0.521760  1
  P  P263  1  0.752993  0.026784  0.474211  1
  P  P264  1  0.753941  0.615608  0.426510  1
  P  P265  1  0.376258  0.358290  0.627547  1
  P  P266  1  0.375300  0.948574  0.581324  1
  P  P267  1  0.378662  0.772520  0.676527  1
  P  P268  1  0.128948  0.563949  0.651503  1
  P  P269  1  0.126742  0.153580  0.605137  1
  P  P270  1  0.128148  0.977743  0.699079  1
  P  P271  1  0.123620  0.358317  0.628856  1
  P  P272  1  0.126383  0.948303  0.580976  1
  P  P273  1  0.120813  0.773285  0.677700  1
  P  P274  1  0.127150  0.480791  0.699182  1
  P  P275  1  0.119498  0.060295  0.649706  1
  P  P276  1  0.120663  0.653282  0.604024  1
  P  P277  1  0.127366  0.449564  0.579632  1
  P  P278  1  0.130786  0.272818  0.676629  1
  P  P279  1  0.129793  0.859744  0.628651  1
  P  P280  1  0.007216  0.667564  0.664489  1
  P  P281  1  0.004792  0.255946  0.616673  1
  P  P282  1  0.007404  0.080481  0.711656  1
  P  P283  1  0.997739  0.551416  0.591911  1
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