# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.49643276
_cell_length_b   16.59035014
_cell_length_c   53.83242743
_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   'Fe48 P192'
_cell_volume   12053.6481709
_cell_formula_units_Z   48
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  0.368273  0.931392  0.303482  1
  Fe  Fe2  1  0.374056  0.604201  0.363147  1
  Fe  Fe3  1  0.129123  0.936521  0.398084  1
  Fe  Fe4  1  0.125705  0.269211  0.328800  1
  Fe  Fe5  1  0.259195  0.271889  0.386081  1
  Fe  Fe6  1  0.253051  0.616138  0.318108  1
  Fe  Fe7  1  0.248988  0.937035  0.348742  1
  Fe  Fe8  1  0.243052  0.603679  0.421931  1
  Fe  Fe9  1  0.876781  0.769211  0.328800  1
  Fe  Fe10  1  0.873364  0.436521  0.398084  1
  Fe  Fe11  1  0.628430  0.104201  0.363147  1
  Fe  Fe12  1  0.634213  0.431392  0.303482  1
  Fe  Fe13  1  0.759435  0.103679  0.421931  1
  Fe  Fe14  1  0.753499  0.437035  0.348742  1
  Fe  Fe15  1  0.749436  0.116138  0.318108  1
  Fe  Fe16  1  0.743291  0.771889  0.386081  1
  Fe  Fe17  1  0.373620  0.269730  0.434376  1
  Fe  Fe18  1  0.373344  0.934686  0.506126  1
  Fe  Fe19  1  0.128715  0.267407  0.542178  1
  Fe  Fe20  1  0.128698  0.602229  0.470543  1
  Fe  Fe21  1  0.258554  0.601542  0.529256  1
  Fe  Fe22  1  0.258303  0.935817  0.457486  1
  Fe  Fe23  1  0.243632  0.268449  0.493439  1
  Fe  Fe24  1  0.245002  0.933078  0.565648  1
  Fe  Fe25  1  0.873789  0.102229  0.470543  1
  Fe  Fe26  1  0.873771  0.767407  0.542178  1
  Fe  Fe27  1  0.629142  0.434686  0.506126  1
  Fe  Fe28  1  0.628866  0.769730  0.434376  1
  Fe  Fe29  1  0.757484  0.433078  0.565648  1
  Fe  Fe30  1  0.758854  0.768449  0.493439  1
  Fe  Fe31  1  0.744183  0.435817  0.457486  1
  Fe  Fe32  1  0.743932  0.101542  0.529256  1
  Fe  Fe33  1  0.373776  0.600526  0.577831  1
  Fe  Fe34  1  0.368628  0.268316  0.650807  1
  Fe  Fe35  1  0.131582  0.587521  0.682836  1
  Fe  Fe36  1  0.135056  0.932095  0.616395  1
  Fe  Fe37  1  0.246656  0.934596  0.667542  1
  Fe  Fe38  1  0.258394  0.266546  0.600463  1
  Fe  Fe39  1  0.245856  0.599350  0.636714  1
  Fe  Fe40  1  0.254592  0.269701  0.696193  1
  Fe  Fe41  1  0.867430  0.432095  0.616395  1
  Fe  Fe42  1  0.870905  0.087521  0.682836  1
  Fe  Fe43  1  0.633859  0.768316  0.650807  1
  Fe  Fe44  1  0.628710  0.100526  0.577831  1
  Fe  Fe45  1  0.747895  0.769701  0.696193  1
  Fe  Fe46  1  0.756631  0.099350  0.636714  1
  Fe  Fe47  1  0.744093  0.766546  0.600463  1
  Fe  Fe48  1  0.755831  0.434596  0.667542  1
  P  P49  1  0.371381  0.688073  0.294591  1
  P  P50  1  0.373993  0.355360  0.365220  1
  P  P51  1  0.127942  0.021968  0.329080  1
  P  P52  1  0.126122  0.686892  0.402111  1
  P  P53  1  0.123281  0.681433  0.294700  1
  P  P54  1  0.126986  0.354231  0.365706  1
  P  P55  1  0.118361  0.853601  0.363712  1
  P  P56  1  0.130530  0.187422  0.292708  1
  P  P57  1  0.129274  0.188259  0.400829  1
  P  P58  1  0.132523  0.519306  0.329013  1
  P  P59  1  0.004091  0.186903  0.346989  1
  P  P60  1  0.004512  0.853373  0.418695  1
  P  P61  1  0.997974  0.353373  0.418695  1
  P  P62  1  0.998395  0.686903  0.346989  1
  P  P63  1  0.378095  0.027063  0.331298  1
  P  P64  1  0.376276  0.685667  0.402230  1
  P  P65  1  0.241859  0.851134  0.310646  1
  P  P66  1  0.250176  0.520638  0.383020  1
  P  P67  1  0.996144  0.854124  0.309978  1
  P  P68  1  0.999308  0.521907  0.382469  1
  P  P69  1  0.373629  0.854720  0.366214  1
  P  P70  1  0.376654  0.186054  0.295265  1
  P  P71  1  0.003178  0.021907  0.382469  1
  P  P72  1  0.006343  0.354124  0.309978  1
  P  P73  1  0.252141  0.187412  0.347678  1
  P  P74  1  0.250935  0.852445  0.418458  1
  P  P75  1  0.382898  0.183768  0.400220  1
  P  P76  1  0.379261  0.520138  0.326931  1
  P  P77  1  0.248688  0.357338  0.420426  1
  P  P78  1  0.247844  0.696174  0.350539  1
  P  P79  1  0.253127  0.023483  0.384237  1
  P  P80  1  0.253203  0.350909  0.311465  1
  P  P81  1  0.876365  0.186892  0.402111  1
  P  P82  1  0.874544  0.521968  0.329080  1
  P  P83  1  0.628493  0.855360  0.365220  1
  P  P84  1  0.631105  0.188073  0.294591  1
  P  P85  1  0.626210  0.185667  0.402230  1
  P  P86  1  0.624391  0.527063  0.331298  1
  P  P87  1  0.623225  0.020138  0.326931  1
  P  P88  1  0.619588  0.683768  0.400220  1
  P  P89  1  0.625832  0.686054  0.295265  1
  P  P90  1  0.628857  0.354720  0.366214  1
  P  P91  1  0.506318  0.019948  0.382587  1
  P  P92  1  0.506048  0.353410  0.311119  1
  P  P93  1  0.496438  0.853410  0.311119  1
  P  P94  1  0.496168  0.519948  0.382587  1
  P  P95  1  0.875500  0.854231  0.365706  1
  P  P96  1  0.879206  0.181433  0.294700  1
  P  P97  1  0.751551  0.352445  0.418458  1
  P  P98  1  0.750346  0.687412  0.347678  1
  P  P99  1  0.498894  0.354136  0.418866  1
  P  P100  1  0.497773  0.691639  0.347470  1
  P  P101  1  0.869964  0.019306  0.329013  1
  P  P102  1  0.873212  0.688259  0.400829  1
  P  P103  1  0.504713  0.191639  0.347470  1
  P  P104  1  0.503593  0.854136  0.418866  1
  P  P105  1  0.752311  0.020638  0.383020  1
  P  P106  1  0.760628  0.351134  0.310646  1
  P  P107  1  0.871956  0.687422  0.292708  1
  P  P108  1  0.884126  0.353601  0.363712  1
  P  P109  1  0.749284  0.850909  0.311465  1
  P  P110  1  0.749359  0.523483  0.384237  1
  P  P111  1  0.754642  0.196174  0.350539  1
  P  P112  1  0.753798  0.857338  0.420426  1
  P  P113  1  0.374955  0.018778  0.437470  1
  P  P114  1  0.375079  0.684495  0.509465  1
  P  P115  1  0.127314  0.351789  0.473643  1
  P  P116  1  0.127782  0.016480  0.545513  1
  P  P117  1  0.126508  0.018814  0.437277  1
  P  P118  1  0.126473  0.684358  0.509321  1
  P  P119  1  0.119753  0.181735  0.507997  1
  P  P120  1  0.119186  0.516826  0.436145  1
  P  P121  1  0.128973  0.518807  0.544159  1
  P  P122  1  0.129133  0.853160  0.472503  1
  P  P123  1  0.004562  0.518098  0.490573  1
  P  P124  1  0.004641  0.183360  0.562434  1
  P  P125  1  0.997845  0.683360  0.562434  1
  P  P126  1  0.997924  0.018098  0.490573  1
  P  P127  1  0.375783  0.351458  0.473386  1
  P  P128  1  0.375950  0.016531  0.545009  1
  P  P129  1  0.250427  0.185499  0.454354  1
  P  P130  1  0.250474  0.850882  0.526216  1
  P  P131  1  1.000075  0.186857  0.454864  1
  P  P132  1  1.000017  0.851830  0.526565  1
  P  P133  1  0.373039  0.185735  0.508375  1
  P  P134  1  0.373135  0.520422  0.436743  1
  P  P135  1  0.002469  0.351830  0.526565  1
  P  P136  1  0.002412  0.686857  0.454864  1
  P  P137  1  0.251948  0.518093  0.490251  1
  P  P138  1  0.252155  0.183373  0.561882  1
  P  P139  1  0.382673  0.514639  0.543583  1
  P  P140  1  0.382611  0.849225  0.471901  1
  P  P141  1  0.248766  0.688193  0.564047  1
  P  P142  1  0.248557  0.022337  0.492024  1
  P  P143  1  0.253705  0.355000  0.528031  1
  P  P144  1  0.253600  0.689694  0.456472  1
  P  P145  1  0.874704  0.516480  0.545513  1
  P  P146  1  0.875172  0.851789  0.473643  1
  P  P147  1  0.627408  0.184495  0.509465  1
  P  P148  1  0.627531  0.518778  0.437470  1
  P  P149  1  0.626536  0.516531  0.545009  1
  P  P150  1  0.626704  0.851458  0.473386  1
  P  P151  1  0.619875  0.349225  0.471901  1
  P  P152  1  0.619813  0.014639  0.543583  1
  P  P153  1  0.629351  0.020422  0.436743  1
  P  P154  1  0.629447  0.685735  0.508375  1
  P  P155  1  0.504986  0.350733  0.526375  1
  P  P156  1  0.505449  0.685481  0.454836  1
  P  P157  1  0.497038  0.185481  0.454836  1
  P  P158  1  0.497500  0.850733  0.526375  1
  P  P159  1  0.876013  0.184358  0.509321  1
  P  P160  1  0.875979  0.518814  0.437277  1
  P  P161  1  0.750331  0.683373  0.561882  1
  P  P162  1  0.750539  0.018093  0.490251  1
  P  P163  1  0.499773  0.684390  0.562271  1
  P  P164  1  0.499396  0.019200  0.490481  1
  P  P165  1  0.873353  0.353160  0.472503  1
  P  P166  1  0.873513  0.018807  0.544159  1
  P  P167  1  0.503091  0.519200  0.490481  1
  P  P168  1  0.502713  0.184390  0.562271  1
  P  P169  1  0.752013  0.350882  0.526216  1
  P  P170  1  0.752059  0.685499  0.454354  1
  P  P171  1  0.883300  0.016826  0.436145  1
  P  P172  1  0.882733  0.681735  0.507997  1
  P  P173  1  0.748887  0.189694  0.456472  1
  P  P174  1  0.748781  0.855000  0.528031  1
  P  P175  1  0.753929  0.522337  0.492024  1
  P  P176  1  0.753721  0.188193  0.564047  1
  P  P177  1  0.376004  0.349798  0.581061  1
  P  P178  1  0.375654  0.014748  0.651530  1
  P  P179  1  0.126515  0.680436  0.617310  1
  P  P180  1  0.127238  0.348771  0.688705  1
  P  P181  1  0.126169  0.350002  0.580785  1
  P  P182  1  0.120924  0.017415  0.652213  1
  P  P183  1  0.121197  0.507963  0.650286  1
  P  P184  1  0.120264  0.847668  0.580193  1
  P  P185  1  0.126642  0.853291  0.687689  1
  P  P186  1  0.128013  0.185165  0.615842  1
  P  P187  1  0.005059  0.846627  0.634435  1
  P  P188  1  0.004590  0.518733  0.706098  1
  P  P189  1  0.997896  0.018733  0.706098  1
  P  P190  1  0.997427  0.346627  0.634435  1
  P  P191  1  0.376754  0.680895  0.617090  1
  P  P192  1  0.382083  0.350943  0.689412  1
  P  P193  1  0.250506  0.516836  0.597524  1
  P  P194  1  0.249309  0.175829  0.667661  1
  P  P195  1  0.998184  0.515604  0.598205  1
  P  P196  1  0.996536  0.181824  0.671672  1
  P  P197  1  0.374854  0.515944  0.652000  1
  P  P198  1  0.374126  0.851048  0.580312  1
  P  P199  1  0.005951  0.681824  0.671672  1
  P  P200  1  0.004302  0.015604  0.598205  1
  P  P201  1  0.253186  0.844372  0.633410  1
  P  P202  1  0.251674  0.515029  0.705012  1
  P  P203  1  0.373569  0.853456  0.688168  1
  P  P204  1  0.383228  0.181587  0.615647  1
  P  P205  1  0.250271  0.018797  0.705236  1
  P  P206  1  0.250379  0.354843  0.634288  1
  P  P207  1  0.253415  0.685463  0.672527  1
  P  P208  1  0.253369  0.021251  0.599591  1
  P  P209  1  0.875248  0.848771  0.688705  1
  P  P210  1  0.875971  0.180436  0.617310  1
  P  P211  1  0.626832  0.514748  0.651530  1
  P  P212  1  0.626483  0.849798  0.581061  1
  P  P213  1  0.620404  0.850943  0.689412  1
  P  P214  1  0.625732  0.180895  0.617090  1
  P  P215  1  0.619258  0.681587  0.615647  1
  P  P216  1  0.628918  0.353456  0.688168  1
  P  P217  1  0.628360  0.351048  0.580312  1
  P  P218  1  0.627632  0.015944  0.652000  1
  P  P219  1  0.504156  0.683994  0.670607  1
  P  P220  1  0.505068  0.015851  0.597960  1
  P  P221  1  0.497419  0.515851  0.597960  1
  P  P222  1  0.498330  0.183994  0.670607  1
  P  P223  1  0.881562  0.517415  0.652213  1
  P  P224  1  0.876317  0.850002  0.580785  1
  P  P225  1  0.750813  0.015029  0.705012  1
  P  P226  1  0.749300  0.344372  0.633410  1
  P  P227  1  0.495418  0.017423  0.703988  1
  P  P228  1  0.499955  0.349175  0.634891  1
  P  P229  1  0.874473  0.685165  0.615842  1
  P  P230  1  0.875845  0.353291  0.687689  1
  P  P231  1  0.502532  0.849175  0.634891  1
  P  P232  1  0.507069  0.517423  0.703988  1
  P  P233  1  0.753178  0.675829  0.667661  1
  P  P234  1  0.751980  0.016836  0.597524  1
  P  P235  1  0.882223  0.347668  0.580193  1
  P  P236  1  0.881290  0.007963  0.650286  1
  P  P237  1  0.749118  0.521251  0.599591  1
  P  P238  1  0.749071  0.185463  0.672527  1
  P  P239  1  0.752107  0.854843  0.634288  1
  P  P240  1  0.752216  0.518797  0.705236  1
