# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.54209649
_cell_length_b   20.00173977
_cell_length_c   50.81935907
_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   'Fe64 P256'
_cell_volume   13765.2105911
_cell_formula_units_Z   64
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  0.371522  0.853163  0.331541  1
  Fe  Fe2  1  0.366277  0.414669  0.280579  1
  Fe  Fe3  1  0.127084  0.132868  0.300933  1
  Fe  Fe4  1  0.128281  0.573894  0.362336  1
  Fe  Fe5  1  0.253509  0.779654  0.289889  1
  Fe  Fe6  1  0.257119  0.222634  0.352256  1
  Fe  Fe7  1  0.247595  0.068467  0.265096  1
  Fe  Fe8  1  0.250190  0.497404  0.319214  1
  Fe  Fe9  1  0.866277  0.914669  0.280579  1
  Fe  Fe10  1  0.871522  0.353163  0.331541  1
  Fe  Fe11  1  0.628281  0.073894  0.362336  1
  Fe  Fe12  1  0.627084  0.632868  0.300933  1
  Fe  Fe13  1  0.757119  0.722634  0.352256  1
  Fe  Fe14  1  0.753509  0.279654  0.289889  1
  Fe  Fe15  1  0.750190  0.997404  0.319214  1
  Fe  Fe16  1  0.747595  0.568467  0.265096  1
  Fe  Fe17  1  0.372690  0.735655  0.456787  1
  Fe  Fe18  1  0.372277  0.294293  0.394818  1
  Fe  Fe19  1  0.127581  0.015179  0.425704  1
  Fe  Fe20  1  0.127679  0.456337  0.488439  1
  Fe  Fe21  1  0.257161  0.663910  0.414407  1
  Fe  Fe22  1  0.257119  0.104910  0.477118  1
  Fe  Fe23  1  0.243915  0.944048  0.383070  1
  Fe  Fe24  1  0.242645  0.383899  0.445905  1
  Fe  Fe25  1  0.872277  0.794293  0.394818  1
  Fe  Fe26  1  0.872690  0.235655  0.456787  1
  Fe  Fe27  1  0.627679  0.956337  0.488439  1
  Fe  Fe28  1  0.627581  0.515179  0.425704  1
  Fe  Fe29  1  0.757119  0.604910  0.477118  1
  Fe  Fe30  1  0.757161  0.163910  0.414407  1
  Fe  Fe31  1  0.742645  0.883899  0.445905  1
  Fe  Fe32  1  0.743915  0.444048  0.383070  1
  Fe  Fe33  1  0.371986  0.617743  0.582120  1
  Fe  Fe34  1  0.372748  0.177035  0.519785  1
  Fe  Fe35  1  0.127413  0.897908  0.550953  1
  Fe  Fe36  1  0.127576  0.337779  0.613820  1
  Fe  Fe37  1  0.256707  0.545742  0.539905  1
  Fe  Fe38  1  0.257312  0.987784  0.602333  1
  Fe  Fe39  1  0.243111  0.825405  0.508331  1
  Fe  Fe40  1  0.243723  0.266723  0.571196  1
  Fe  Fe41  1  0.872748  0.677035  0.519785  1
  Fe  Fe42  1  0.871986  0.117743  0.582120  1
  Fe  Fe43  1  0.627576  0.837779  0.613820  1
  Fe  Fe44  1  0.627413  0.397908  0.550953  1
  Fe  Fe45  1  0.757312  0.487784  0.602333  1
  Fe  Fe46  1  0.756707  0.045742  0.539905  1
  Fe  Fe47  1  0.743723  0.766723  0.571196  1
  Fe  Fe48  1  0.743111  0.325405  0.508331  1
  Fe  Fe49  1  0.368374  0.502847  0.707704  1
  Fe  Fe50  1  0.371729  0.060564  0.645293  1
  Fe  Fe51  1  0.132038  0.784176  0.677646  1
  Fe  Fe52  1  0.126013  0.213367  0.731146  1
  Fe  Fe53  1  0.256742  0.427792  0.665109  1
  Fe  Fe54  1  0.241299  0.866530  0.716810  1
  Fe  Fe55  1  0.244223  0.707536  0.634657  1
  Fe  Fe56  1  0.241540  0.147247  0.694519  1
  Fe  Fe57  1  0.871729  0.560564  0.645293  1
  Fe  Fe58  1  0.868374  1.002847  0.707704  1
  Fe  Fe59  1  0.626013  0.713367  0.731146  1
  Fe  Fe60  1  0.632038  0.284176  0.677646  1
  Fe  Fe61  1  0.741299  0.366530  0.716810  1
  Fe  Fe62  1  0.756742  0.927792  0.665109  1
  Fe  Fe63  1  0.741540  0.647247  0.694519  1
  Fe  Fe64  1  0.744223  0.207536  0.634657  1
  P  P65  1  0.371403  0.807517  0.256434  1
  P  P66  1  0.373722  0.246907  0.319110  1
  P  P67  1  0.127907  0.969582  0.349928  1
  P  P68  1  0.128447  0.524719  0.286669  1
  P  P69  1  0.124843  0.810751  0.257906  1
  P  P70  1  0.122836  0.245634  0.319221  1
  P  P71  1  0.116411  0.020890  0.283016  1
  P  P72  1  0.119069  0.465070  0.348992  1
  P  P73  1  0.127875  0.747671  0.318785  1
  P  P74  1  0.124029  0.307716  0.257521  1
  P  P75  1  0.001866  0.102900  0.332029  1
  P  P76  1  0.000896  0.671337  0.271893  1
  P  P77  1  0.997842  0.886903  0.304771  1
  P  P78  1  0.996228  0.328035  0.364783  1
  P  P79  1  0.375394  0.969201  0.349992  1
  P  P80  1  0.372630  0.526732  0.284929  1
  P  P81  1  0.249823  0.827675  0.364775  1
  P  P82  1  0.241331  0.381544  0.304944  1
  P  P83  1  0.997622  0.828729  0.365431  1
  P  P84  1  0.995915  0.387190  0.302042  1
  P  P85  1  0.376268  0.028658  0.286026  1
  P  P86  1  0.371690  0.468571  0.350386  1
  P  P87  1  0.003362  0.166984  0.269575  1
  P  P88  1  0.003067  0.607298  0.332522  1
  P  P89  1  0.250025  0.106420  0.334227  1
  P  P90  1  0.246996  0.668182  0.270747  1
  P  P91  1  0.381233  0.742741  0.317392  1
  P  P92  1  0.374503  0.320050  0.255330  1
  P  P93  1  0.248786  0.893515  0.302972  1
  P  P94  1  0.247441  0.332617  0.366496  1
  P  P95  1  0.254254  0.177324  0.271249  1
  P  P96  1  0.252423  0.610170  0.333230  1
  P  P97  1  0.873722  0.746907  0.319110  1
  P  P98  1  0.871403  0.307517  0.256434  1
  P  P99  1  0.628447  0.024719  0.286669  1
  P  P100  1  0.627907  0.469582  0.349928  1
  P  P101  1  0.622836  0.745634  0.319221  1
  P  P102  1  0.624843  0.310751  0.257906  1
  P  P103  1  0.619069  0.965070  0.348992  1
  P  P104  1  0.616411  0.520890  0.283016  1
  P  P105  1  0.624029  0.807716  0.257521  1
  P  P106  1  0.627875  0.247671  0.318785  1
  P  P107  1  0.500896  0.171337  0.271893  1
  P  P108  1  0.501866  0.602900  0.332029  1
  P  P109  1  0.496228  0.828035  0.364783  1
  P  P110  1  0.497842  0.386903  0.304771  1
  P  P111  1  0.872630  0.026732  0.284929  1
  P  P112  1  0.875394  0.469201  0.349992  1
  P  P113  1  0.741331  0.881544  0.304944  1
  P  P114  1  0.749823  0.327675  0.364775  1
  P  P115  1  0.495915  0.887190  0.302042  1
  P  P116  1  0.497622  0.328729  0.365431  1
  P  P117  1  0.871690  0.968571  0.350386  1
  P  P118  1  0.876268  0.528658  0.286026  1
  P  P119  1  0.503067  0.107298  0.332522  1
  P  P120  1  0.503362  0.666984  0.269575  1
  P  P121  1  0.746996  0.168182  0.270747  1
  P  P122  1  0.750025  0.606420  0.334227  1
  P  P123  1  0.874503  0.820050  0.255330  1
  P  P124  1  0.881233  0.242741  0.317392  1
  P  P125  1  0.747441  0.832617  0.366496  1
  P  P126  1  0.748786  0.393515  0.302972  1
  P  P127  1  0.752423  0.110170  0.333230  1
  P  P128  1  0.754254  0.677324  0.271249  1
  P  P129  1  0.373251  0.688509  0.380877  1
  P  P130  1  0.374236  0.130452  0.444382  1
  P  P131  1  0.126389  0.851001  0.475560  1
  P  P132  1  0.126245  0.410030  0.412980  1
  P  P133  1  0.125788  0.688701  0.381318  1
  P  P134  1  0.125244  0.130272  0.444225  1
  P  P135  1  0.118989  0.905898  0.411814  1
  P  P136  1  0.118328  0.346512  0.474474  1
  P  P137  1  0.128085  0.629980  0.442969  1
  P  P138  1  0.126711  0.187729  0.380175  1
  P  P139  1  0.004036  0.989521  0.459166  1
  P  P140  1  0.004118  0.548385  0.396205  1
  P  P141  1  0.996683  0.768623  0.427843  1
  P  P142  1  0.996196  0.209791  0.490242  1
  P  P143  1  0.374924  0.850793  0.475375  1
  P  P144  1  0.374824  0.409808  0.413346  1
  P  P145  1  0.249601  0.709160  0.489894  1
  P  P146  1  0.249204  0.267492  0.427541  1
  P  P147  1  0.998450  0.710848  0.490311  1
  P  P148  1  0.998055  0.269452  0.427171  1
  P  P149  1  0.372494  0.909624  0.411581  1
  P  P150  1  0.371928  0.350341  0.474425  1
  P  P151  1  0.002426  0.049254  0.396087  1
  P  P152  1  0.001895  0.490378  0.458879  1
  P  P153  1  0.250823  0.988617  0.458752  1
  P  P154  1  0.250026  0.547799  0.395966  1
  P  P155  1  0.381484  0.625974  0.442941  1
  P  P156  1  0.382473  0.184508  0.380502  1
  P  P157  1  0.247970  0.774600  0.428207  1
  P  P158  1  0.247854  0.215717  0.491182  1
  P  P159  1  0.253062  0.054136  0.397423  1
  P  P160  1  0.252167  0.495236  0.459846  1
  P  P161  1  0.874236  0.630452  0.444382  1
  P  P162  1  0.873251  0.188509  0.380877  1
  P  P163  1  0.626245  0.910030  0.412980  1
  P  P164  1  0.626389  0.351001  0.475560  1
  P  P165  1  0.625244  0.630272  0.444225  1
  P  P166  1  0.625788  0.188701  0.381318  1
  P  P167  1  0.618328  0.846512  0.474474  1
  P  P168  1  0.618989  0.405898  0.411814  1
  P  P169  1  0.626711  0.687729  0.380175  1
  P  P170  1  0.628085  0.129980  0.442969  1
  P  P171  1  0.504118  0.048385  0.396205  1
  P  P172  1  0.504036  0.489521  0.459166  1
  P  P173  1  0.496196  0.709791  0.490242  1
  P  P174  1  0.496683  0.268623  0.427843  1
  P  P175  1  0.874824  0.909808  0.413346  1
  P  P176  1  0.874924  0.350793  0.475375  1
  P  P177  1  0.749204  0.767492  0.427541  1
  P  P178  1  0.749601  0.209160  0.489894  1
  P  P179  1  0.498055  0.769452  0.427171  1
  P  P180  1  0.498450  0.210848  0.490311  1
  P  P181  1  0.871928  0.850341  0.474425  1
  P  P182  1  0.872494  0.409624  0.411581  1
  P  P183  1  0.501895  0.990378  0.458879  1
  P  P184  1  0.502426  0.549254  0.396087  1
  P  P185  1  0.750026  0.047799  0.395966  1
  P  P186  1  0.750823  0.488617  0.458752  1
  P  P187  1  0.882473  0.684508  0.380502  1
  P  P188  1  0.881484  0.125974  0.442941  1
  P  P189  1  0.747854  0.715717  0.491182  1
  P  P190  1  0.747970  0.274600  0.428207  1
  P  P191  1  0.752167  0.995236  0.459846  1
  P  P192  1  0.753062  0.554136  0.397423  1
  P  P193  1  0.373585  0.571451  0.506926  1
  P  P194  1  0.374318  0.013170  0.569666  1
  P  P195  1  0.126391  0.732704  0.601105  1
  P  P196  1  0.126503  0.292147  0.538223  1
  P  P197  1  0.125124  0.571510  0.506960  1
  P  P198  1  0.125149  0.013188  0.569480  1
  P  P199  1  0.118947  0.787813  0.537185  1
  P  P200  1  0.118552  0.228681  0.599513  1
  P  P201  1  0.127992  0.512208  0.568501  1
  P  P202  1  0.128180  0.071119  0.505639  1
  P  P203  1  0.004518  0.871413  0.584538  1
  P  P204  1  0.003817  0.430485  0.521764  1
  P  P205  1  0.996277  0.651237  0.553267  1
  P  P206  1  0.994570  0.092831  0.615919  1
  P  P207  1  0.374659  0.732655  0.600897  1
  P  P208  1  0.375162  0.292218  0.538299  1
  P  P209  1  0.249685  0.591864  0.615680  1
  P  P210  1  0.249629  0.150528  0.552671  1
  P  P211  1  0.998977  0.593541  0.616046  1
  P  P212  1  0.997924  0.151851  0.552745  1
  P  P213  1  0.372152  0.791447  0.536829  1
  P  P214  1  0.372217  0.232840  0.599826  1
  P  P215  1  0.001880  0.931486  0.521587  1
  P  P216  1  0.001840  0.372041  0.584178  1
  P  P217  1  0.250938  0.871358  0.583634  1
  P  P218  1  0.250534  0.429728  0.521467  1
  P  P219  1  0.381345  0.508041  0.568684  1
  P  P220  1  0.381557  0.067324  0.505910  1
  P  P221  1  0.247580  0.656756  0.553712  1
  P  P222  1  0.248649  0.098643  0.616390  1
  P  P223  1  0.252529  0.936425  0.522376  1
  P  P224  1  0.252475  0.377233  0.585305  1
  P  P225  1  0.874318  0.513170  0.569666  1
  P  P226  1  0.873585  0.071451  0.506926  1
  P  P227  1  0.626503  0.792147  0.538223  1
  P  P228  1  0.626391  0.232704  0.601105  1
  P  P229  1  0.625149  0.513188  0.569480  1
  P  P230  1  0.625124  0.071510  0.506960  1
  P  P231  1  0.618552  0.728681  0.599513  1
  P  P232  1  0.618947  0.287813  0.537185  1
  P  P233  1  0.628180  0.571119  0.505639  1
  P  P234  1  0.627992  0.012208  0.568501  1
  P  P235  1  0.503817  0.930485  0.521764  1
  P  P236  1  0.504518  0.371413  0.584538  1
  P  P237  1  0.494570  0.592831  0.615919  1
  P  P238  1  0.496277  0.151237  0.553267  1
  P  P239  1  0.875162  0.792218  0.538299  1
  P  P240  1  0.874659  0.232655  0.600897  1
  P  P241  1  0.749629  0.650528  0.552671  1
  P  P242  1  0.749685  0.091864  0.615680  1
  P  P243  1  0.497924  0.651851  0.552745  1
  P  P244  1  0.498977  0.093541  0.616046  1
  P  P245  1  0.872217  0.732840  0.599826  1
  P  P246  1  0.872152  0.291447  0.536829  1
  P  P247  1  0.501840  0.872041  0.584178  1
  P  P248  1  0.501880  0.431486  0.521587  1
  P  P249  1  0.750534  0.929728  0.521467  1
  P  P250  1  0.750938  0.371358  0.583634  1
  P  P251  1  0.881557  0.567324  0.505910  1
  P  P252  1  0.881345  0.008041  0.568684  1
  P  P253  1  0.748649  0.598643  0.616390  1
  P  P254  1  0.747580  0.156756  0.553712  1
  P  P255  1  0.752475  0.877233  0.585305  1
  P  P256  1  0.752529  0.436425  0.522376  1
  P  P257  1  0.374358  0.453137  0.632529  1
  P  P258  1  0.373801  0.893176  0.692606  1
  P  P259  1  0.122871  0.612526  0.725106  1
  P  P260  1  0.125361  0.173444  0.662672  1
  P  P261  1  0.124901  0.453016  0.632184  1
  P  P262  1  0.115206  0.899302  0.692346  1
  P  P263  1  0.119057  0.672425  0.663491  1
  P  P264  1  0.121668  0.103597  0.726752  1
  P  P265  1  0.126466  0.393922  0.693476  1
  P  P266  1  0.127683  0.954838  0.630616  1
  P  P267  1  0.006128  0.755610  0.711015  1
  P  P268  1  0.003833  0.311414  0.647114  1
  P  P269  1  0.995809  0.533685  0.678484  1
  P  P270  1  0.991482  0.968046  0.740963  1
  P  P271  1  0.374120  0.612654  0.727353  1
  P  P272  1  0.375658  0.175380  0.664238  1
  P  P273  1  0.245693  0.473361  0.739710  1
  P  P274  1  0.249117  0.032565  0.677953  1
  P  P275  1  0.994359  0.473807  0.738588  1
  P  P276  1  0.994963  0.037144  0.678611  1
  P  P277  1  0.370893  0.676387  0.663865  1
  P  P278  1  0.369469  0.113823  0.725037  1
  P  P279  1  0.001578  0.812835  0.647099  1
  P  P280  1  0.997921  0.255709  0.710990  1
  P  P281  1  0.248696  0.753717  0.711183  1
  P  P282  1  0.249629  0.310950  0.647062  1
  P  P283  1  0.377393  0.390609  0.693857  1
  P  P284  1  0.381430  0.949907  0.630896  1
  P  P285  1  0.246148  0.539456  0.678471  1
  P  P286  1  0.249246  0.963236  0.741202  1
  P  P287  1  0.250390  0.818495  0.646194  1
  P  P288  1  0.254231  0.260026  0.711690  1
  P  P289  1  0.873801  0.393176  0.692606  1
  P  P290  1  0.874358  0.953137  0.632529  1
  P  P291  1  0.625361  0.673444  0.662672  1
  P  P292  1  0.622871  0.112526  0.725106  1
  P  P293  1  0.615206  0.399302  0.692346  1
  P  P294  1  0.624901  0.953016  0.632184  1
  P  P295  1  0.621668  0.603597  0.726752  1
  P  P296  1  0.619057  0.172425  0.663491  1
  P  P297  1  0.627683  0.454838  0.630616  1
  P  P298  1  0.626466  0.893922  0.693476  1
  P  P299  1  0.503833  0.811414  0.647114  1
  P  P300  1  0.506128  0.255610  0.711015  1
  P  P301  1  0.491482  0.468046  0.740963  1
  P  P302  1  0.495809  0.033685  0.678484  1
  P  P303  1  0.875658  0.675380  0.664238  1
  P  P304  1  0.874120  0.112654  0.727353  1
  P  P305  1  0.749117  0.532565  0.677953  1
  P  P306  1  0.745693  0.973361  0.739710  1
  P  P307  1  0.494963  0.537144  0.678611  1
  P  P308  1  0.494359  0.973807  0.738588  1
  P  P309  1  0.869469  0.613823  0.725037  1
  P  P310  1  0.870893  0.176387  0.663865  1
  P  P311  1  0.497921  0.755709  0.710990  1
  P  P312  1  0.501578  0.312835  0.647099  1
  P  P313  1  0.749629  0.810950  0.647062  1
  P  P314  1  0.748696  0.253717  0.711183  1
  P  P315  1  0.881430  0.449907  0.630896  1
  P  P316  1  0.877393  0.890609  0.693857  1
  P  P317  1  0.749246  0.463236  0.741202  1
  P  P318  1  0.746148  0.039456  0.678471  1
  P  P319  1  0.754231  0.760026  0.711690  1
  P  P320  1  0.750390  0.318495  0.646194  1
