# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.05433461
_cell_length_b   22.01719283
_cell_length_c   47.27848937
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.14220618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   17490.4289702
_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  0.215487  0.862680  0.383403  1
  Fe  Fe2  1  0.268207  0.285336  0.317801  1
  Fe  Fe3  1  0.249993  0.570582  0.341075  1
  Fe  Fe4  1  0.719891  0.830624  0.386101  1
  Fe  Fe5  1  0.799677  0.237184  0.317774  1
  Fe  Fe6  1  0.759573  0.535114  0.348896  1
  Fe  Fe7  1  0.566566  0.706945  0.345727  1
  Fe  Fe8  1  0.527167  0.002697  0.383440  1
  Fe  Fe9  1  0.604733  0.411558  0.309664  1
  Fe  Fe10  1  0.069443  0.739219  0.340595  1
  Fe  Fe11  1  0.032730  0.032106  0.377644  1
  Fe  Fe12  1  0.130837  0.437986  0.314083  1
  Fe  Fe13  1  0.405900  0.777360  0.361020  1
  Fe  Fe14  1  0.471629  0.198851  0.300574  1
  Fe  Fe15  1  0.444153  0.481192  0.324055  1
  Fe  Fe16  1  0.957148  0.702630  0.300319  1
  Fe  Fe17  1  0.934454  0.995925  0.329419  1
  Fe  Fe18  1  0.893407  0.281471  0.363031  1
  Fe  Fe19  1  0.108020  0.751504  0.494018  1
  Fe  Fe20  1  0.180486  0.158005  0.421695  1
  Fe  Fe21  1  0.144053  0.456856  0.457304  1
  Fe  Fe22  1  0.613099  0.713796  0.496958  1
  Fe  Fe23  1  0.682208  0.125045  0.423477  1
  Fe  Fe24  1  0.648441  0.419339  0.460060  1
  Fe  Fe25  1  0.459176  0.589030  0.455741  1
  Fe  Fe26  1  0.421591  0.883092  0.494919  1
  Fe  Fe27  1  0.493545  0.294370  0.419798  1
  Fe  Fe28  1  0.967024  0.625468  0.456966  1
  Fe  Fe29  1  0.928576  0.919957  0.493834  1
  Fe  Fe30  1  0.998647  0.328676  0.420004  1
  Fe  Fe31  1  0.294778  0.662269  0.472965  1
  Fe  Fe32  1  0.365117  0.072724  0.401101  1
  Fe  Fe33  1  0.329886  0.365986  0.437533  1
  Fe  Fe34  1  0.858682  0.573966  0.396987  1
  Fe  Fe35  1  0.817751  0.869770  0.434891  1
  Fe  Fe36  1  0.780590  0.162846  0.473819  1
  Fe  Fe37  1  0.999867  0.636495  0.606883  1
  Fe  Fe38  1  0.070449  0.044940  0.533870  1
  Fe  Fe39  1  0.033868  0.339426  0.570379  1
  Fe  Fe40  1  0.507795  0.597739  0.610505  1
  Fe  Fe41  1  0.573796  0.008932  0.534984  1
  Fe  Fe42  1  0.533813  0.301514  0.570323  1
  Fe  Fe43  1  0.352125  0.475344  0.566433  1
  Fe  Fe44  1  0.315976  0.769443  0.605775  1
  Fe  Fe45  1  0.382538  0.176933  0.532833  1
  Fe  Fe46  1  0.856755  0.509065  0.567708  1
  Fe  Fe47  1  0.820815  0.803128  0.605300  1
  Fe  Fe48  1  0.890911  0.213521  0.532010  1
  Fe  Fe49  1  0.188572  0.549628  0.583267  1
  Fe  Fe50  1  0.258150  0.954994  0.513034  1
  Fe  Fe51  1  0.220591  0.250790  0.549055  1
  Fe  Fe52  1  0.746550  0.458609  0.509063  1
  Fe  Fe53  1  0.712116  0.753403  0.545633  1
  Fe  Fe54  1  0.671011  0.048142  0.585532  1
  Fe  Fe55  1  0.928743  0.496654  0.710313  1
  Fe  Fe56  1  0.962608  0.926301  0.644087  1
  Fe  Fe57  1  0.933489  0.215865  0.678712  1
  Fe  Fe58  1  0.381778  0.476435  0.705664  1
  Fe  Fe59  1  0.468166  0.890930  0.648200  1
  Fe  Fe60  1  0.412000  0.189770  0.676225  1
  Fe  Fe61  1  0.240134  0.357786  0.681779  1
  Fe  Fe62  1  0.215389  0.649248  0.702622  1
  Fe  Fe63  1  0.286057  0.057539  0.646564  1
  Fe  Fe64  1  0.736053  0.386428  0.670556  1
  Fe  Fe65  1  0.713526  0.675834  0.704757  1
  Fe  Fe66  1  0.779912  0.095385  0.642759  1
  Fe  Fe67  1  0.070395  0.426462  0.688201  1
  Fe  Fe68  1  0.150411  0.841593  0.621883  1
  Fe  Fe69  1  0.093546  0.146653  0.665036  1
  Fe  Fe70  1  0.638377  0.348042  0.626903  1
  Fe  Fe71  1  0.610249  0.633467  0.660445  1
  Fe  Fe72  1  0.574670  0.930069  0.690665  1
  P  P73  1  0.213044  0.984588  0.304136  1
  P  P74  1  0.163866  0.274543  0.342663  1
  P  P75  1  0.139922  0.565850  0.371814  1
  P  P76  1  0.677144  0.858394  0.336830  1
  P  P77  1  0.637301  0.149642  0.373314  1
  P  P78  1  0.713442  0.563814  0.300298  1
  P  P79  1  0.690517  0.711115  0.318358  1
  P  P80  1  0.649527  0.004944  0.353902  1
  P  P81  1  0.725580  0.415602  0.281862  1
  P  P82  1  0.226435  0.842228  0.286178  1
  P  P83  1  0.194441  0.128747  0.322517  1
  P  P84  1  0.158056  0.420654  0.358806  1
  P  P85  1  0.164415  0.806933  0.344571  1
  P  P86  1  0.127033  0.104428  0.383980  1
  P  P87  1  0.208586  0.508611  0.302297  1
  P  P88  1  0.717958  0.021081  0.289130  1
  P  P89  1  0.688135  0.314542  0.326894  1
  P  P90  1  0.646469  0.609039  0.363578  1
  P  P91  1  0.845707  0.920044  0.321427  1
  P  P92  1  0.803243  0.206826  0.362701  1
  P  P93  1  0.884557  0.631424  0.284097  1
  P  P94  1  0.319564  0.876012  0.347342  1
  P  P95  1  0.282237  0.171664  0.384779  1
  P  P96  1  0.361803  0.579491  0.307284  1
  P  P97  1  0.045628  0.771561  0.290775  1
  P  P98  1  0.027710  0.065466  0.328210  1
  P  P99  1  0.984302  0.357894  0.368241  1
  P  P100  1  0.472152  0.684983  0.380302  1
  P  P101  1  0.545124  0.104850  0.305561  1
  P  P102  1  0.512785  0.393545  0.345623  1
  P  P103  1  0.992293  0.666274  0.342706  1
  P  P104  1  0.954573  0.960079  0.376865  1
  P  P105  1  0.036509  0.381766  0.303132  1
  P  P106  1  0.505358  0.800883  0.326972  1
  P  P107  1  0.462795  0.094042  0.366392  1
  P  P108  1  0.542388  0.501676  0.289545  1
  P  P109  1  0.907869  0.021600  0.279468  1
  P  P110  1  0.878142  0.314115  0.313206  1
  P  P111  1  0.834931  0.610237  0.349488  1
  P  P112  1  0.390468  0.903556  0.287023  1
  P  P113  1  0.354165  0.192973  0.320351  1
  P  P114  1  0.327300  0.479881  0.357427  1
  P  P115  1  0.851604  0.776141  0.304483  1
  P  P116  1  0.822929  0.065379  0.341401  1
  P  P117  1  0.792082  0.357425  0.378520  1
  P  P118  1  0.342304  0.730951  0.325712  1
  P  P119  1  0.300895  0.024195  0.366613  1
  P  P120  1  0.383762  0.425485  0.291200  1
  P  P121  1  0.041163  0.917634  0.311291  1
  P  P122  1  1.002230  0.209060  0.351508  1
  P  P123  1  0.968865  0.505866  0.384201  1
  P  P124  1  0.561522  0.954650  0.292824  1
  P  P125  1  0.530929  0.251720  0.329778  1
  P  P126  1  0.490059  0.541942  0.359362  1
  P  P127  1  0.306273  0.628204  0.373994  1
  P  P128  1  0.380560  0.045088  0.305750  1
  P  P129  1  0.343836  0.336705  0.342634  1
  P  P130  1  0.817438  0.753870  0.370424  1
  P  P131  1  0.896380  0.168303  0.297384  1
  P  P132  1  0.858225  0.461124  0.331383  1
  P  P133  1  0.477807  0.942815  0.350772  1
  P  P134  1  0.560240  0.346409  0.276598  1
  P  P135  1  0.522670  0.648896  0.310920  1
  P  P136  1  0.974196  0.819020  0.356671  1
  P  P137  1  0.065140  0.235251  0.289674  1
  P  P138  1  0.023202  0.527190  0.318703  1
  P  P139  1  0.177157  0.661506  0.319790  1
  P  P140  1  0.143333  0.956592  0.364017  1
  P  P141  1  0.220763  0.356789  0.285921  1
  P  P142  1  0.627173  0.756189  0.381903  1
  P  P143  1  0.703595  0.173228  0.303397  1
  P  P144  1  0.666632  0.462598  0.345044  1
  P  P145  1  0.098085  0.856420  0.410306  1
  P  P146  1  0.061625  0.151577  0.449541  1
  P  P147  1  0.026497  0.449633  0.485086  1
  P  P148  1  0.565013  0.738924  0.447381  1
  P  P149  1  0.526494  0.033061  0.485526  1
  P  P150  1  0.601312  0.444382  0.410075  1
  P  P151  1  0.582851  0.591861  0.428137  1
  P  P152  1  0.544724  0.886192  0.466444  1
  P  P153  1  0.618597  0.296780  0.392395  1
  P  P154  1  0.117627  0.710537  0.389819  1
  P  P155  1  0.078822  0.004150  0.428272  1
  P  P156  1  0.044166  0.300850  0.468076  1
  P  P157  1  0.057009  0.699626  0.455821  1
  P  P158  1  0.018703  0.993845  0.494505  1
  P  P159  1  0.090176  0.402134  0.421087  1
  P  P160  1  0.606996  0.902743  0.400802  1
  P  P161  1  0.570141  0.195062  0.438353  1
  P  P162  1  0.536632  0.490235  0.473854  1
  P  P163  1  0.732161  0.795853  0.434462  1
  P  P164  1  0.694365  0.089247  0.472521  1
  P  P165  1  0.771338  0.502174  0.397175  1
  P  P166  1  0.213271  0.764525  0.458228  1
  P  P167  1  0.175597  0.057312  0.498166  1
  P  P168  1  0.249049  0.467104  0.421058  1
  P  P169  1  0.944332  0.653474  0.406059  1
  P  P170  1  0.907022  0.948518  0.442631  1
  P  P171  1  0.872097  0.241632  0.480506  1
  P  P172  1  0.364532  0.568063  0.491027  1
  P  P173  1  0.434081  0.978593  0.419396  1
  P  P174  1  0.399406  0.273571  0.456290  1
  P  P175  1  0.886685  0.549699  0.449299  1
  P  P176  1  0.848554  0.844481  0.486841  1
  P  P177  1  0.918362  0.254412  0.414304  1
  P  P178  1  0.395634  0.682615  0.441461  1
  P  P179  1  0.357009  0.976084  0.480586  1
  P  P180  1  0.428960  0.386982  0.404894  1
  P  P181  1  0.795067  0.905988  0.387144  1
  P  P182  1  0.758104  0.199191  0.427120  1
  P  P183  1  0.725116  0.494131  0.462298  1
  P  P184  1  0.291023  0.769731  0.395466  1
  P  P185  1  0.251605  0.063915  0.434866  1
  P  P186  1  0.217097  0.360853  0.471069  1
  P  P187  1  0.754414  0.649958  0.415027  1
  P  P188  1  0.715956  0.943865  0.452830  1
  P  P189  1  0.678666  0.237978  0.490981  1
  P  P190  1  0.232065  0.616998  0.437807  1
  P  P191  1  0.193651  0.911205  0.477821  1
  P  P192  1  0.265067  0.317965  0.403794  1
  P  P193  1  0.927684  0.801367  0.422610  1
  P  P194  1  0.890700  0.094747  0.460790  1
  P  P195  1  0.856394  0.388675  0.497708  1
  P  P196  1  0.451617  0.832899  0.398204  1
  P  P197  1  0.413823  0.127297  0.436664  1
  P  P198  1  0.380742  0.422916  0.472284  1
  P  P199  1  0.201686  0.511007  0.488287  1
  P  P200  1  0.270186  0.919029  0.415493  1
  P  P201  1  0.235558  0.213557  0.453887  1
  P  P202  1  0.708921  0.637993  0.481404  1
  P  P203  1  0.777994  0.049207  0.407987  1
  P  P204  1  0.744179  0.343082  0.445212  1
  P  P205  1  0.374159  0.826689  0.461086  1
  P  P206  1  0.442663  0.235554  0.387527  1
  P  P207  1  0.410086  0.533512  0.421691  1
  P  P208  1  0.866273  0.700028  0.468741  1
  P  P209  1  0.937916  0.108397  0.394346  1
  P  P210  1  0.901532  0.405199  0.431745  1
  P  P211  1  0.073565  0.551581  0.437134  1
  P  P212  1  0.035479  0.846897  0.475163  1
  P  P213  1  0.105399  0.253251  0.404431  1
  P  P214  1  0.521226  0.636347  0.493239  1
  P  P215  1  0.589714  0.048943  0.419481  1
  P  P216  1  0.556586  0.342120  0.456497  1
  P  P217  1  0.990323  0.743396  0.521411  1
  P  P218  1  0.951519  0.036392  0.560075  1
  P  P219  1  0.914309  0.332433  0.596021  1
  P  P220  1  0.460528  0.623967  0.559390  1
  P  P221  1  0.420271  0.918610  0.598478  1
  P  P222  1  0.490190  0.327516  0.521641  1
  P  P223  1  0.475369  0.475286  0.539221  1
  P  P224  1  0.440472  0.771180  0.578297  1
  P  P225  1  0.506651  0.179925  0.504156  1
  P  P226  1  0.010908  0.596284  0.503199  1
  P  P227  1  0.974202  0.889419  0.540839  1
  P  P228  1  0.937125  0.183526  0.579162  1
  P  P229  1  0.946894  0.583143  0.568392  1
  P  P230  1  0.911058  0.875381  0.605511  1
  P  P231  1  0.981463  0.286803  0.532616  1
  P  P232  1  0.500294  0.783578  0.512258  1
  P  P233  1  0.460727  0.078172  0.550884  1
  P  P234  1  0.427478  0.376540  0.586264  1
  P  P235  1  0.626212  0.679336  0.545956  1
  P  P236  1  0.587933  0.973624  0.583458  1
  P  P237  1  0.658275  0.385281  0.509565  1
  P  P238  1  0.104156  0.648859  0.569177  1
  P  P239  1  0.066234  0.941351  0.608023  1
  P  P240  1  0.138125  0.351387  0.533148  1
  P  P241  1  0.838468  0.537116  0.515997  1
  P  P242  1  0.802967  0.831641  0.553210  1
  P  P243  1  0.764989  0.123477  0.590820  1
  P  P244  1  0.257273  0.456334  0.601535  1
  P  P245  1  0.327309  0.860459  0.530197  1
  P  P246  1  0.288450  0.156609  0.569346  1
  P  P247  1  0.776122  0.433854  0.560303  1
  P  P248  1  0.743736  0.728294  0.596502  1
  P  P249  1  0.811065  0.138174  0.524973  1
  P  P250  1  0.288049  0.568669  0.551886  1
  P  P251  1  0.250667  0.861908  0.590920  1
  P  P252  1  0.319540  0.269842  0.516814  1
  P  P253  1  0.688347  0.789276  0.499451  1
  P  P254  1  0.649671  0.083350  0.537783  1
  P  P255  1  0.614984  0.375605  0.576092  1
  P  P256  1  0.181350  0.655336  0.506375  1
  P  P257  1  0.143284  0.948427  0.545697  1
  P  P258  1  0.110401  0.244220  0.583033  1
  P  P259  1  0.645483  0.533682  0.527021  1
  P  P260  1  0.610338  0.827701  0.564423  1
  P  P261  1  0.569254  0.123354  0.602616  1
  P  P262  1  0.123097  0.500380  0.549606  1
  P  P263  1  0.087794  0.793587  0.588709  1
  P  P264  1  0.155919  0.203111  0.515971  1
  P  P265  1  0.821770  0.683616  0.534093  1
  P  P266  1  0.781156  0.977271  0.572744  1
  P  P267  1  0.741599  0.270145  0.609630  1
  P  P268  1  0.344597  0.715454  0.509688  1
  P  P269  1  0.305793  0.009444  0.549485  1
  P  P270  1  0.270979  0.308459  0.584591  1
  P  P271  1  0.094533  0.394063  0.600313  1
  P  P272  1  0.163915  0.803461  0.526547  1
  P  P273  1  0.124722  0.097030  0.567156  1
  P  P274  1  0.601386  0.520196  0.594486  1
  P  P275  1  0.670471  0.932893  0.519374  1
  P  P276  1  0.632732  0.226025  0.557437  1
  P  P277  1  0.268592  0.711481  0.572507  1
  P  P278  1  0.335993  0.119408  0.499671  1
  P  P279  1  0.301337  0.415820  0.534357  1
  P  P280  1  0.757552  0.582560  0.581232  1
  P  P281  1  0.828591  0.993421  0.506953  1
  P  P282  1  0.790651  0.287926  0.544149  1
  P  P283  1  0.963825  0.435415  0.550032  1
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