# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32019617
_cell_length_b   33.93258534
_cell_length_c   48.89900654
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.42088336
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe64 P256'
_cell_volume   15463.9292772
_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  0.652578  0.395731  0.384186  1
  Fe  Fe2  1  0.654097  0.953291  0.328712  1
  Fe  Fe3  1  0.144442  0.533155  0.366457  1
  Fe  Fe4  1  0.155765  0.094214  0.318614  1
  Fe  Fe5  1  0.902390  0.526087  0.326430  1
  Fe  Fe6  1  0.877034  0.964562  0.372268  1
  Fe  Fe7  1  0.376313  0.469336  0.374473  1
  Fe  Fe8  1  0.376755  0.029766  0.324345  1
  Fe  Fe9  1  0.656049  0.175075  0.355430  1
  Fe  Fe10  1  0.650353  0.735186  0.306093  1
  Fe  Fe11  1  0.146899  0.312913  0.338930  1
  Fe  Fe12  1  0.154393  0.873210  0.291189  1
  Fe  Fe13  1  0.902358  0.307530  0.300006  1
  Fe  Fe14  1  0.884073  0.744469  0.344680  1
  Fe  Fe15  1  0.378858  0.248528  0.346228  1
  Fe  Fe16  1  0.377329  0.810272  0.297351  1
  Fe  Fe17  1  0.649411  0.275391  0.495250  1
  Fe  Fe18  1  0.651571  0.835575  0.439647  1
  Fe  Fe19  1  0.149954  0.413916  0.480435  1
  Fe  Fe20  1  0.152917  0.973877  0.424660  1
  Fe  Fe21  1  0.874230  0.404542  0.428738  1
  Fe  Fe22  1  0.872743  0.845008  0.484338  1
  Fe  Fe23  1  0.372942  0.349215  0.486660  1
  Fe  Fe24  1  0.375249  0.909360  0.430920  1
  Fe  Fe25  1  0.651317  0.055432  0.467312  1
  Fe  Fe26  1  0.651338  0.615632  0.411625  1
  Fe  Fe27  1  0.151758  0.193837  0.452706  1
  Fe  Fe28  1  0.152880  0.753638  0.396355  1
  Fe  Fe29  1  0.875631  0.184044  0.400547  1
  Fe  Fe30  1  0.872665  0.624860  0.456578  1
  Fe  Fe31  1  0.374488  0.129295  0.459070  1
  Fe  Fe32  1  0.374727  0.688906  0.402851  1
  Fe  Fe33  1  0.648582  0.155444  0.607147  1
  Fe  Fe34  1  0.646484  0.715488  0.550851  1
  Fe  Fe35  1  0.146436  0.294074  0.591953  1
  Fe  Fe36  1  0.147839  0.853757  0.535942  1
  Fe  Fe37  1  0.870559  0.284805  0.539927  1
  Fe  Fe38  1  0.866500  0.725064  0.596088  1
  Fe  Fe39  1  0.369576  0.229619  0.597793  1
  Fe  Fe40  1  0.369774  0.788952  0.542009  1
  Fe  Fe41  1  0.648872  0.935319  0.579287  1
  Fe  Fe42  1  0.647435  0.495503  0.523235  1
  Fe  Fe43  1  0.148329  0.073962  0.563922  1
  Fe  Fe44  1  0.148473  0.633762  0.508286  1
  Fe  Fe45  1  0.872149  0.064854  0.512317  1
  Fe  Fe46  1  0.868498  0.504970  0.568006  1
  Fe  Fe47  1  0.370762  0.009136  0.570003  1
  Fe  Fe48  1  0.371190  0.569115  0.514521  1
  Fe  Fe49  1  0.615184  0.044313  0.708409  1
  Fe  Fe50  1  0.636410  0.595761  0.662488  1
  Fe  Fe51  1  0.117209  0.174926  0.694540  1
  Fe  Fe52  1  0.142099  0.734595  0.648364  1
  Fe  Fe53  1  0.879119  0.165971  0.654240  1
  Fe  Fe54  1  0.870067  0.603936  0.701766  1
  Fe  Fe55  1  0.387495  0.101457  0.702761  1
  Fe  Fe56  1  0.365528  0.669764  0.654091  1
  Fe  Fe57  1  0.632791  0.814577  0.683041  1
  Fe  Fe58  1  0.637731  0.375452  0.634938  1
  Fe  Fe59  1  0.130208  0.952072  0.667401  1
  Fe  Fe60  1  0.144901  0.513911  0.620235  1
  Fe  Fe61  1  0.880830  0.945438  0.626954  1
  Fe  Fe62  1  0.871595  0.383114  0.674238  1
  Fe  Fe63  1  0.359375  0.889143  0.675346  1
  Fe  Fe64  1  0.367115  0.449271  0.626469  1
  P  P65  1  0.895385  0.457288  0.327027  1
  P  P66  1  0.886573  0.896809  0.381667  1
  P  P67  1  0.392058  0.597134  0.313818  1
  P  P68  1  0.389761  0.036193  0.369132  1
  P  P69  1  0.884221  0.536740  0.370937  1
  P  P70  1  0.897016  0.096116  0.311841  1
  P  P71  1  0.401074  0.537761  0.367961  1
  P  P72  1  0.403433  0.096037  0.310143  1
  P  P73  1  0.897849  0.593333  0.313051  1
  P  P74  1  0.894595  0.034091  0.367065  1
  P  P75  1  0.144174  0.604518  0.360606  1
  P  P76  1  0.149721  0.162779  0.304077  1
  P  P77  1  0.646581  0.168120  0.306231  1
  P  P78  1  0.643189  0.607300  0.361687  1
  P  P79  1  0.388230  0.396156  0.381697  1
  P  P80  1  0.387957  0.956182  0.325025  1
  P  P81  1  0.644672  0.465829  0.375465  1
  P  P82  1  0.642439  0.024804  0.319517  1
  P  P83  1  0.641119  0.105699  0.360724  1
  P  P84  1  0.643227  0.666807  0.305528  1
  P  P85  1  0.393580  0.456099  0.327468  1
  P  P86  1  0.393266  0.896766  0.383231  1
  P  P87  1  0.143095  0.665307  0.307300  1
  P  P88  1  0.142460  0.105302  0.362864  1
  P  P89  1  0.153380  0.525619  0.317935  1
  P  P90  1  0.145435  0.966133  0.375166  1
  P  P91  1  0.900171  0.394618  0.381415  1
  P  P92  1  0.902913  0.954532  0.324416  1
  P  P93  1  0.644843  0.526035  0.318926  1
  P  P94  1  0.628661  0.966351  0.375346  1
  P  P95  1  0.131481  0.464943  0.375504  1
  P  P96  1  0.136296  0.024931  0.316377  1
  P  P97  1  0.900057  0.238157  0.298229  1
  P  P98  1  0.891119  0.676422  0.354025  1
  P  P99  1  0.395796  0.377783  0.286241  1
  P  P100  1  0.390746  0.815882  0.341903  1
  P  P101  1  0.886549  0.316483  0.344251  1
  P  P102  1  0.894015  0.875383  0.284513  1
  P  P103  1  0.402836  0.317388  0.340148  1
  P  P104  1  0.405714  0.874993  0.282914  1
  P  P105  1  0.897695  0.373596  0.286047  1
  P  P106  1  0.895085  0.813727  0.339674  1
  P  P107  1  0.146935  0.384495  0.333185  1
  P  P108  1  0.149794  0.939781  0.275242  1
  P  P109  1  0.645118  0.387084  0.334466  1
  P  P110  1  0.643152  0.948174  0.279004  1
  P  P111  1  0.390378  0.175112  0.353431  1
  P  P112  1  0.392215  0.736453  0.296424  1
  P  P113  1  0.647245  0.245465  0.347555  1
  P  P114  1  0.643791  0.803025  0.291512  1
  P  P115  1  0.649767  0.445208  0.280873  1
  P  P116  1  0.641474  0.885426  0.333168  1
  P  P117  1  0.393065  0.235718  0.299789  1
  P  P118  1  0.391917  0.676316  0.355121  1
  P  P119  1  0.138960  0.444945  0.280610  1
  P  P120  1  0.142242  0.885608  0.335202  1
  P  P121  1  0.154400  0.305809  0.290338  1
  P  P122  1  0.147942  0.745239  0.346751  1
  P  P123  1  0.901920  0.173847  0.352820  1
  P  P124  1  0.897022  0.732797  0.296060  1
  P  P125  1  0.646737  0.305814  0.291702  1
  P  P126  1  0.628730  0.746695  0.349999  1
  P  P127  1  0.132840  0.244142  0.347516  1
  P  P128  1  0.134717  0.804375  0.289566  1
  P  P129  1  0.887332  0.336469  0.437136  1
  P  P130  1  0.883282  0.776789  0.493373  1
  P  P131  1  0.386646  0.476061  0.422857  1
  P  P132  1  0.384241  0.915993  0.479068  1
  P  P133  1  0.883701  0.416196  0.479287  1
  P  P134  1  0.886674  0.976420  0.423008  1
  P  P135  1  0.395548  0.418029  0.480657  1
  P  P136  1  0.398630  0.977962  0.425225  1
  P  P137  1  0.888728  0.474056  0.424408  1
  P  P138  1  0.888672  0.914393  0.479556  1
  P  P139  1  0.138872  0.484683  0.471956  1
  P  P140  1  0.139898  0.044614  0.416518  1
  P  P141  1  0.643756  0.046982  0.417615  1
  P  P142  1  0.637702  0.487162  0.473626  1
  P  P143  1  0.383427  0.276282  0.493262  1
  P  P144  1  0.385261  0.836523  0.437338  1
  P  P145  1  0.641542  0.345671  0.486860  1
  P  P146  1  0.643446  0.905980  0.431402  1
  P  P147  1  0.638894  0.986159  0.473321  1
  P  P148  1  0.635234  0.546392  0.418120  1
  P  P149  1  0.388262  0.336027  0.439183  1
  P  P150  1  0.387118  0.776132  0.494505  1
  P  P151  1  0.142053  0.544895  0.416116  1
  P  P152  1  0.137159  0.984837  0.472725  1
  P  P153  1  0.143238  0.405179  0.431217  1
  P  P154  1  0.141181  0.845548  0.486733  1
  P  P155  1  0.895530  0.273903  0.492392  1
  P  P156  1  0.897795  0.834035  0.436889  1
  P  P157  1  0.625990  0.406372  0.431575  1
  P  P158  1  0.624144  0.846441  0.487112  1
  P  P159  1  0.123771  0.345084  0.486525  1
  P  P160  1  0.126838  0.905191  0.430285  1
  P  P161  1  0.884769  0.116469  0.409576  1
  P  P162  1  0.885698  0.556703  0.465118  1
  P  P163  1  0.388704  0.255443  0.394745  1
  P  P164  1  0.384998  0.695702  0.451110  1
  P  P165  1  0.885415  0.196073  0.451312  1
  P  P166  1  0.888285  0.756168  0.395384  1
  P  P167  1  0.397727  0.197923  0.452798  1
  P  P168  1  0.396939  0.757796  0.397941  1
  P  P169  1  0.890571  0.253498  0.396543  1
  P  P170  1  0.888130  0.694229  0.451906  1
  P  P171  1  0.141243  0.264570  0.444121  1
  P  P172  1  0.140038  0.824388  0.388442  1
  P  P173  1  0.639392  0.266869  0.445631  1
  P  P174  1  0.644035  0.827473  0.390171  1
  P  P175  1  0.385360  0.056300  0.465282  1
  P  P176  1  0.386175  0.616196  0.409352  1
  P  P177  1  0.642666  0.125747  0.459359  1
  P  P178  1  0.643453  0.685613  0.403469  1
  P  P179  1  0.636109  0.326189  0.390420  1
  P  P180  1  0.639524  0.766192  0.445457  1
  P  P181  1  0.393425  0.116243  0.411381  1
  P  P182  1  0.386118  0.556117  0.467020  1
  P  P183  1  0.145475  0.324493  0.388459  1
  P  P184  1  0.137187  0.764779  0.444812  1
  P  P185  1  0.144843  0.185215  0.403461  1
  P  P186  1  0.141468  0.625265  0.458973  1
  P  P187  1  0.896860  0.053864  0.464826  1
  P  P188  1  0.898094  0.614482  0.409083  1
  P  P189  1  0.628023  0.185976  0.403202  1
  P  P190  1  0.624605  0.626246  0.459318  1
  P  P191  1  0.126034  0.124961  0.458358  1
  P  P192  1  0.127784  0.685072  0.402726  1
  P  P193  1  0.882011  0.216748  0.549063  1
  P  P194  1  0.878667  0.657131  0.604793  1
  P  P195  1  0.382923  0.355979  0.534544  1
  P  P196  1  0.376566  0.795505  0.590058  1
  P  P197  1  0.879628  0.296283  0.590479  1
  P  P198  1  0.882101  0.856455  0.534753  1
  P  P199  1  0.391653  0.298022  0.592328  1
  P  P200  1  0.393731  0.857824  0.536495  1
  P  P201  1  0.884513  0.354374  0.535718  1
  P  P202  1  0.885253  0.794170  0.591083  1
  P  P203  1  0.137082  0.364678  0.583444  1
  P  P204  1  0.135798  0.924605  0.528123  1
  P  P205  1  0.638432  0.927160  0.529158  1
  P  P206  1  0.631070  0.367250  0.585127  1
  P  P207  1  0.383335  0.156592  0.603632  1
  P  P208  1  0.379945  0.716163  0.548909  1
  P  P209  1  0.637746  0.225628  0.598641  1
  P  P210  1  0.638244  0.785756  0.542819  1
  P  P211  1  0.637763  0.866236  0.584514  1
  P  P212  1  0.634537  0.426205  0.529197  1
  P  P213  1  0.385832  0.216537  0.550175  1
  P  P214  1  0.380905  0.656562  0.606360  1
  P  P215  1  0.135099  0.424929  0.528393  1
  P  P216  1  0.130441  0.864325  0.584063  1
  P  P217  1  0.138718  0.285638  0.542524  1
  P  P218  1  0.134884  0.725873  0.598712  1
  P  P219  1  0.890950  0.154266  0.604728  1
  P  P220  1  0.892544  0.713906  0.548322  1
  P  P221  1  0.622483  0.286441  0.542865  1
  P  P222  1  0.618955  0.726298  0.598467  1
  P  P223  1  0.120792  0.225547  0.597493  1
  P  P224  1  0.121689  0.784885  0.541770  1
  P  P225  1  0.882260  0.996711  0.521344  1
  P  P226  1  0.880345  0.436850  0.576863  1
  P  P227  1  0.383565  0.135934  0.507036  1
  P  P228  1  0.381062  0.575919  0.562524  1
  P  P229  1  0.881347  0.076443  0.562730  1
  P  P230  1  0.882246  0.636202  0.507122  1
  P  P231  1  0.394161  0.077742  0.564680  1
  P  P232  1  0.394136  0.637870  0.508573  1
  P  P233  1  0.887883  0.134270  0.507542  1
  P  P234  1  0.882792  0.574280  0.563774  1
  P  P235  1  0.135296  0.144645  0.556034  1
  P  P236  1  0.137030  0.704480  0.499907  1
  P  P237  1  0.637869  0.147118  0.556959  1
  P  P238  1  0.637065  0.707041  0.501322  1
  P  P239  1  0.383660  0.936124  0.576111  1
  P  P240  1  0.381262  0.496263  0.521256  1
  P  P241  1  0.639241  0.005599  0.571302  1
  P  P242  1  0.639731  0.565714  0.514846  1
  P  P243  1  0.637058  0.206105  0.501233  1
  P  P244  1  0.633305  0.646184  0.557040  1
  P  P245  1  0.387860  0.996327  0.522411  1
  P  P246  1  0.382805  0.436276  0.578685  1
  P  P247  1  0.136479  0.204860  0.500557  1
  P  P248  1  0.133362  0.644912  0.556325  1
  P  P249  1  0.140848  0.065572  0.514671  1
  P  P250  1  0.137040  0.505397  0.570764  1
  P  P251  1  0.891292  0.934042  0.577064  1
  P  P252  1  0.893779  0.493978  0.520412  1
  P  P253  1  0.623806  0.066341  0.515084  1
  P  P254  1  0.620071  0.506329  0.570885  1
  P  P255  1  0.121958  0.005240  0.569224  1
  P  P256  1  0.122077  0.565046  0.514548  1
  P  P257  1  0.879482  0.096857  0.661338  1
  P  P258  1  0.873120  0.538867  0.716392  1
  P  P259  1  0.378679  0.235273  0.646180  1
  P  P260  1  0.376042  0.676039  0.701484  1
  P  P261  1  0.878083  0.178653  0.704013  1
  P  P262  1  0.876576  0.736787  0.646869  1
  P  P263  1  0.373026  0.174716  0.704634  1
  P  P264  1  0.386399  0.738878  0.647857  1
  P  P265  1  0.880315  0.235080  0.646700  1
  P  P266  1  0.874885  0.673942  0.702585  1
  P  P267  1  0.128169  0.244680  0.695337  1
  P  P268  1  0.127438  0.805561  0.640942  1
  P  P269  1  0.631918  0.806941  0.638397  1
  P  P270  1  0.627977  0.245171  0.694013  1
  P  P271  1  0.382000  0.036651  0.719929  1
  P  P272  1  0.373574  0.596666  0.660920  1
  P  P273  1  0.635795  0.110521  0.711376  1
  P  P274  1  0.632229  0.666450  0.653987  1
  P  P275  1  0.623436  0.747465  0.696804  1
  P  P276  1  0.630234  0.305922  0.640357  1
  P  P277  1  0.377656  0.095653  0.658317  1
  P  P278  1  0.382541  0.536968  0.713595  1
  P  P279  1  0.131154  0.304513  0.640085  1
  P  P280  1  0.129319  0.744583  0.695962  1
  P  P281  1  0.139711  0.165046  0.650658  1
  P  P282  1  0.125608  0.606224  0.709716  1
  P  P283  1  0.857310  0.035738  0.717914  1
  P  P284  1  0.888466  0.593840  0.657457  1
  P  P285  1  0.622250  0.166005  0.654829  1
  P  P286  1  0.619504  0.607372  0.710779  1
  P  P287  1  0.125551  0.106276  0.709148  1
  P  P288  1  0.117230  0.665642  0.653561  1
  P  P289  1  0.879508  0.876813  0.633844  1
  P  P290  1  0.872954  0.317269  0.688740  1
  P  P291  1  0.376939  0.014885  0.618347  1
  P  P292  1  0.376666  0.455850  0.674225  1
  P  P293  1  0.873711  0.957211  0.676371  1
  P  P294  1  0.877978  0.515786  0.618708  1
  P  P295  1  0.382109  0.957400  0.678247  1
  P  P296  1  0.389681  0.518000  0.620585  1
  P  P297  1  0.885816  0.014029  0.619248  1
  P  P298  1  0.877236  0.453176  0.675632  1
  P  P299  1  0.129442  0.023174  0.669354  1
  P  P300  1  0.135031  0.584534  0.611351  1
  P  P301  1  0.628912  0.026271  0.665532  1
  P  P302  1  0.629671  0.587225  0.612912  1
  P  P303  1  0.373845  0.818593  0.689788  1
  P  P304  1  0.374946  0.376343  0.633507  1
  P  P305  1  0.626599  0.885703  0.682949  1
  P  P306  1  0.634314  0.445648  0.626406  1
  P  P307  1  0.637240  0.086465  0.612757  1
  P  P308  1  0.630876  0.525918  0.668400  1
  P  P309  1  0.381627  0.875063  0.631751  1
  P  P310  1  0.383901  0.314730  0.686978  1
  P  P311  1  0.128887  0.083804  0.611825  1
  P  P312  1  0.127270  0.524282  0.668273  1
  P  P313  1  0.139778  0.945170  0.623028  1
  P  P314  1  0.126780  0.384921  0.682321  1
  P  P315  1  0.877183  0.814354  0.690010  1
  P  P316  1  0.890007  0.373425  0.629885  1
  P  P317  1  0.621458  0.945430  0.626926  1
  P  P318  1  0.620560  0.386459  0.683282  1
  P  P319  1  0.116538  0.887352  0.683397  1
  P  P320  1  0.118636  0.445085  0.626072  1
