# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.00692511
_cell_length_b   16.47560910
_cell_length_c   46.88632771
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.95487341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   12033.8166117
_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  0.852419  0.053974  0.338432  1
  Fe  Fe2  1  0.477698  0.798155  0.405783  1
  Fe  Fe3  1  0.732397  0.296493  0.407066  1
  Fe  Fe4  1  0.104342  0.549404  0.336904  1
  Fe  Fe5  1  0.104679  0.550820  0.413448  1
  Fe  Fe6  1  0.477978  0.804499  0.341285  1
  Fe  Fe7  1  0.788121  0.181370  0.373672  1
  Fe  Fe8  1  0.166268  0.440013  0.310809  1
  Fe  Fe9  1  0.534089  0.187505  0.309738  1
  Fe  Fe10  1  0.168118  0.926504  0.371968  1
  Fe  Fe11  1  0.792507  0.680722  0.312230  1
  Fe  Fe12  1  0.419467  0.422532  0.369635  1
  Fe  Fe13  1  0.792630  0.680021  0.374895  1
  Fe  Fe14  1  0.173769  0.938432  0.311669  1
  Fe  Fe15  1  0.100492  0.059572  0.411063  1
  Fe  Fe16  1  0.478198  0.304382  0.338859  1
  Fe  Fe17  1  0.103682  0.546990  0.478427  1
  Fe  Fe18  1  0.728140  0.293647  0.550000  1
  Fe  Fe19  1  0.978948  0.790776  0.550773  1
  Fe  Fe20  1  0.355313  0.044189  0.479283  1
  Fe  Fe21  1  0.353382  0.045726  0.556674  1
  Fe  Fe22  1  0.728446  0.297340  0.484697  1
  Fe  Fe23  1  0.036504  0.678522  0.518524  1
  Fe  Fe24  1  0.411974  0.930841  0.446798  1
  Fe  Fe25  1  0.790967  0.672743  0.441669  1
  Fe  Fe26  1  0.415467  0.419701  0.513457  1
  Fe  Fe27  1  0.042740  0.171028  0.442870  1
  Fe  Fe28  1  0.666936  0.917252  0.514670  1
  Fe  Fe29  1  0.040525  0.171628  0.520421  1
  Fe  Fe30  1  0.415892  0.423781  0.448351  1
  Fe  Fe31  1  0.348501  0.551979  0.554789  1
  Fe  Fe32  1  0.723810  0.804264  0.482297  1
  Fe  Fe33  1  0.351502  0.040712  0.622088  1
  Fe  Fe34  1  0.977627  0.794002  0.686821  1
  Fe  Fe35  1  0.231577  0.286441  0.688222  1
  Fe  Fe36  1  0.604361  0.539008  0.624458  1
  Fe  Fe37  1  0.595778  0.534449  0.685730  1
  Fe  Fe38  1  0.976186  0.790192  0.625763  1
  Fe  Fe39  1  0.286185  0.172435  0.660245  1
  Fe  Fe40  1  0.661331  0.424885  0.589930  1
  Fe  Fe41  1  0.040883  0.168209  0.585383  1
  Fe  Fe42  1  0.664704  0.922947  0.657610  1
  Fe  Fe43  1  0.292981  0.665354  0.590252  1
  Fe  Fe44  1  0.916082  0.413248  0.658470  1
  Fe  Fe45  1  0.289924  0.665838  0.656518  1
  Fe  Fe46  1  0.666620  0.918737  0.591889  1
  Fe  Fe47  1  0.602654  0.030936  0.687136  1
  Fe  Fe48  1  0.973730  0.300302  0.627033  1
  P  P49  1  0.603366  0.805539  0.336557  1
  P  P50  1  0.226687  0.551243  0.410143  1
  P  P51  1  0.851534  0.301069  0.336762  1
  P  P52  1  0.478136  0.051029  0.410381  1
  P  P53  1  0.533235  0.927623  0.302656  1
  P  P54  1  0.162191  0.677265  0.374137  1
  P  P55  1  0.662337  0.175590  0.371690  1
  P  P56  1  0.043923  0.428493  0.298537  1
  P  P57  1  0.980112  0.550324  0.409436  1
  P  P58  1  0.351633  0.803433  0.338567  1
  P  P59  1  0.978150  0.549086  0.335313  1
  P  P60  1  0.605378  0.299140  0.410229  1
  P  P61  1  0.102364  0.803000  0.408870  1
  P  P62  1  0.471408  0.052681  0.337535  1
  P  P63  1  0.915516  0.178904  0.374174  1
  P  P64  1  0.282503  0.431981  0.301629  1
  P  P65  1  0.724706  0.053268  0.335296  1
  P  P66  1  0.351762  0.798887  0.408779  1
  P  P67  1  0.654573  0.181220  0.300303  1
  P  P68  1  0.291333  0.928640  0.374292  1
  P  P69  1  0.728026  0.052047  0.407864  1
  P  P70  1  0.100666  0.303459  0.337935  1
  P  P71  1  0.796491  0.427417  0.373560  1
  P  P72  1  0.169421  0.675698  0.301138  1
  P  P73  1  0.037082  0.425947  0.373557  1
  P  P74  1  0.412343  0.681612  0.302502  1
  P  P75  1  0.795009  0.931227  0.301049  1
  P  P76  1  0.417176  0.670161  0.372941  1
  P  P77  1  0.915861  0.178573  0.302526  1
  P  P78  1  0.542179  0.933159  0.374009  1
  P  P79  1  0.856171  0.303013  0.410934  1
  P  P80  1  0.233851  0.562259  0.341842  1
  P  P81  1  0.917689  0.679340  0.373927  1
  P  P82  1  0.285944  0.931574  0.301730  1
  P  P83  1  0.548201  0.428975  0.302384  1
  P  P84  1  0.166627  0.178680  0.374246  1
  P  P85  1  0.859819  0.815369  0.339351  1
  P  P86  1  0.476333  0.549494  0.409224  1
  P  P87  1  0.973541  0.050093  0.407277  1
  P  P88  1  0.354016  0.307173  0.333468  1
  P  P89  1  0.665698  0.676740  0.373912  1
  P  P90  1  0.052270  0.931120  0.301957  1
  P  P91  1  0.677458  0.681304  0.302165  1
  P  P92  1  0.293094  0.424963  0.372991  1
  P  P93  1  0.787730  0.928180  0.372331  1
  P  P94  1  0.164856  0.180101  0.302897  1
  P  P95  1  0.606980  0.307979  0.341124  1
  P  P96  1  0.227652  0.051899  0.410720  1
  P  P97  1  0.042165  0.928590  0.373497  1
  P  P98  1  0.414633  0.180614  0.299198  1
  P  P99  1  0.981846  0.057328  0.336922  1
  P  P100  1  0.603074  0.802093  0.408496  1
  P  P101  1  0.783020  0.427555  0.302818  1
  P  P102  1  0.415497  0.180123  0.373937  1
  P  P103  1  0.104833  0.301852  0.409172  1
  P  P104  1  0.481305  0.553060  0.335431  1
  P  P105  1  0.726171  0.547187  0.339742  1
  P  P106  1  0.353341  0.300228  0.408197  1
  P  P107  1  0.729004  0.545211  0.408984  1
  P  P108  1  0.100555  0.794241  0.336901  1
  P  P109  1  0.854998  0.806552  0.409975  1
  P  P110  1  0.236310  0.067890  0.340259  1
  P  P111  1  0.907184  0.678438  0.302152  1
  P  P112  1  0.543530  0.430951  0.374947  1
  P  P113  1  0.852087  0.299250  0.481718  1
  P  P114  1  0.476235  0.046162  0.553675  1
  P  P115  1  0.102192  0.798349  0.482126  1
  P  P116  1  0.726440  0.544592  0.553405  1
  P  P117  1  0.790096  0.424238  0.445783  1
  P  P118  1  0.414398  0.171562  0.517645  1
  P  P119  1  0.910608  0.671035  0.514967  1
  P  P120  1  0.286553  0.923954  0.444035  1
  P  P121  1  0.229436  0.044782  0.552876  1
  P  P122  1  0.604891  0.296811  0.481313  1
  P  P123  1  0.228319  0.045872  0.481774  1
  P  P124  1  0.852170  0.792276  0.552779  1
  P  P125  1  0.351663  0.296782  0.551562  1
  P  P126  1  0.726831  0.549228  0.479933  1
  P  P127  1  0.164365  0.672374  0.517406  1
  P  P128  1  0.539255  0.923939  0.445242  1
  P  P129  1  0.977318  0.547794  0.480472  1
  P  P130  1  0.601753  0.294017  0.552084  1
  P  P131  1  0.916293  0.676252  0.444512  1
  P  P132  1  0.540752  0.422863  0.515977  1
  P  P133  1  0.978095  0.547664  0.552042  1
  P  P134  1  0.353295  0.799968  0.480364  1
  P  P135  1  0.040696  0.921498  0.516880  1
  P  P136  1  0.417266  0.174573  0.445632  1
  P  P137  1  0.290919  0.920616  0.516746  1
  P  P138  1  0.666367  0.172840  0.444686  1
  P  P139  1  0.039288  0.417508  0.445483  1
  P  P140  1  0.664731  0.164490  0.517076  1
  P  P141  1  0.167642  0.681235  0.446368  1
  P  P142  1  0.792468  0.428154  0.517998  1
  P  P143  1  0.106141  0.799755  0.554419  1
  P  P144  1  0.482139  0.052148  0.482863  1
  P  P145  1  0.163970  0.173130  0.517292  1
  P  P146  1  0.539853  0.425631  0.445355  1
  P  P147  1  0.789341  0.923586  0.445792  1
  P  P148  1  0.414150  0.671622  0.518035  1
  P  P149  1  0.101502  0.298029  0.481491  1
  P  P150  1  0.727521  0.045254  0.552952  1
  P  P151  1  0.224250  0.546605  0.551710  1
  P  P152  1  0.597945  0.796917  0.479101  1
  P  P153  1  0.916758  0.170942  0.516925  1
  P  P154  1  0.291696  0.423100  0.445068  1
  P  P155  1  0.915694  0.171635  0.445448  1
  P  P156  1  0.540266  0.918928  0.517018  1
  P  P157  1  0.039582  0.423859  0.516409  1
  P  P158  1  0.414065  0.675322  0.444119  1
  P  P159  1  0.851581  0.797907  0.481172  1
  P  P160  1  0.476130  0.545262  0.552454  1
  P  P161  1  0.289453  0.421388  0.516124  1
  P  P162  1  0.664581  0.673386  0.444189  1
  P  P163  1  0.228524  0.549600  0.480865  1
  P  P164  1  0.853349  0.296929  0.552443  1
  P  P165  1  0.040700  0.927167  0.444508  1
  P  P166  1  0.665138  0.673193  0.515707  1
  P  P167  1  0.352771  0.793999  0.553375  1
  P  P168  1  0.728666  0.047170  0.480781  1
  P  P169  1  0.977703  0.047085  0.480442  1
  P  P170  1  0.603136  0.793830  0.552155  1
  P  P171  1  0.975958  0.038800  0.552664  1
  P  P172  1  0.352073  0.291141  0.480714  1
  P  P173  1  0.104781  0.302960  0.553682  1
  P  P174  1  0.479524  0.554347  0.481521  1
  P  P175  1  0.169296  0.179249  0.446909  1
  P  P176  1  0.793697  0.925287  0.518298  1
  P  P177  1  0.101804  0.793105  0.624609  1
  P  P178  1  0.714329  0.537978  0.696657  1
  P  P179  1  0.351321  0.291072  0.624142  1
  P  P180  1  0.983972  0.044052  0.694952  1
  P  P181  1  0.038370  0.919508  0.588520  1
  P  P182  1  0.669467  0.675492  0.660105  1
  P  P183  1  0.159335  0.165219  0.656768  1
  P  P184  1  0.536603  0.419650  0.586447  1
  P  P185  1  0.483565  0.541301  0.695218  1
  P  P186  1  0.852753  0.792925  0.623755  1
  P  P187  1  0.477485  0.540988  0.623238  1
  P  P188  1  0.111962  0.291018  0.697412  1
  P  P189  1  0.602281  0.796509  0.695683  1
  P  P190  1  0.973577  0.044874  0.623640  1
  P  P191  1  0.409768  0.160865  0.662417  1
  P  P192  1  0.789067  0.418544  0.589163  1
  P  P193  1  0.225902  0.040492  0.623703  1
  P  P194  1  0.859878  0.792638  0.695861  1
  P  P195  1  0.164857  0.170175  0.587742  1
  P  P196  1  0.790877  0.922704  0.661456  1
  P  P197  1  0.220521  0.044818  0.695709  1
  P  P198  1  0.602340  0.294001  0.623552  1
  P  P199  1  0.294630  0.419245  0.659908  1
  P  P200  1  0.664875  0.667098  0.588540  1
  P  P201  1  0.531362  0.402999  0.657714  1
  P  P202  1  0.914259  0.666530  0.587899  1
  P  P203  1  0.288562  0.913046  0.588937  1
  P  P204  1  0.909752  0.656690  0.660245  1
  P  P205  1  0.417359  0.175878  0.590133  1
  P  P206  1  0.042775  0.926122  0.658672  1
  P  P207  1  0.353333  0.293463  0.698869  1
  P  P208  1  0.730983  0.546673  0.625350  1
  P  P209  1  0.415653  0.666489  0.659900  1
  P  P210  1  0.788784  0.919602  0.589206  1
  P  P211  1  0.038707  0.419259  0.590072  1
  P  P212  1  0.666280  0.167572  0.660001  1
  P  P213  1  0.351164  0.797426  0.624411  1
  P  P214  1  0.973762  0.538422  0.696332  1
  P  P215  1  0.485421  0.039722  0.696405  1
  P  P216  1  0.848964  0.293580  0.623170  1
  P  P217  1  0.165048  0.666011  0.660684  1
  P  P218  1  0.543385  0.920071  0.587970  1
  P  P219  1  0.164959  0.666264  0.589130  1
  P  P220  1  0.786618  0.413975  0.660869  1
  P  P221  1  0.288621  0.918907  0.661421  1
  P  P222  1  0.664109  0.169757  0.587966  1
  P  P223  1  0.099988  0.292047  0.625039  1
  P  P224  1  0.723857  0.040816  0.698501  1
  P  P225  1  0.533352  0.907433  0.656637  1
  P  P226  1  0.915285  0.170335  0.588148  1
  P  P227  1  0.477011  0.045370  0.624643  1
  P  P228  1  0.093190  0.791889  0.696191  1
  P  P229  1  0.289821  0.420302  0.587697  1
  P  P230  1  0.916656  0.171398  0.661425  1
  P  P231  1  0.600293  0.289456  0.694395  1
  P  P232  1  0.977879  0.542627  0.625151  1
  P  P233  1  0.224632  0.536415  0.623922  1
  P  P234  1  0.850315  0.291405  0.695382  1
  P  P235  1  0.235502  0.544848  0.695878  1
  P  P236  1  0.604160  0.788092  0.624736  1
  P  P237  1  0.354236  0.790009  0.695293  1
  P  P238  1  0.733856  0.050977  0.624831  1
  P  P239  1  0.420071  0.675222  0.590202  1
  P  P240  1  0.045345  0.420629  0.663595  1
