# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18437898
_cell_length_b   32.75498641
_cell_length_c   51.27122573
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.32164866
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   10377.4484991
_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  0.153144  0.410815  0.363120  1
  Fe  Fe2  1  0.132687  0.891575  0.301317  1
  Fe  Fe3  1  0.489396  0.123067  0.268371  1
  Fe  Fe4  1  0.487710  0.649901  0.325597  1
  Fe  Fe5  1  0.471601  0.538730  0.276215  1
  Fe  Fe6  1  0.493245  0.057901  0.338237  1
  Fe  Fe7  1  0.157583  0.299867  0.311195  1
  Fe  Fe8  1  0.142266  0.820176  0.376107  1
  Fe  Fe9  1  0.311832  0.458218  0.263426  1
  Fe  Fe10  1  0.314767  0.974726  0.318679  1
  Fe  Fe11  1  0.325521  0.234602  0.349860  1
  Fe  Fe12  1  0.309956  0.713852  0.290740  1
  Fe  Fe13  1  0.158261  0.451545  0.490389  1
  Fe  Fe14  1  0.152432  0.931388  0.427610  1
  Fe  Fe15  1  0.500718  0.169811  0.388721  1
  Fe  Fe16  1  0.499618  0.690045  0.452389  1
  Fe  Fe17  1  0.490851  0.578893  0.401114  1
  Fe  Fe18  1  0.500243  0.098847  0.464931  1
  Fe  Fe19  1  0.152220  0.339982  0.439028  1
  Fe  Fe20  1  0.156050  0.860440  0.503661  1
  Fe  Fe21  1  0.320117  0.494888  0.382305  1
  Fe  Fe22  1  0.326869  0.015004  0.446218  1
  Fe  Fe23  1  0.329339  0.275115  0.477448  1
  Fe  Fe24  1  0.321512  0.755129  0.414285  1
  Fe  Fe25  1  0.167697  0.491799  0.617782  1
  Fe  Fe26  1  0.166102  0.971872  0.554720  1
  Fe  Fe27  1  0.507411  0.210308  0.516040  1
  Fe  Fe28  1  0.512487  0.730217  0.579718  1
  Fe  Fe29  1  0.503309  0.619081  0.528325  1
  Fe  Fe30  1  0.507736  0.139600  0.592264  1
  Fe  Fe31  1  0.159742  0.380656  0.566069  1
  Fe  Fe32  1  0.172089  0.901349  0.630580  1
  Fe  Fe33  1  0.330260  0.535378  0.509425  1
  Fe  Fe34  1  0.337799  0.055682  0.573446  1
  Fe  Fe35  1  0.335494  0.315659  0.604440  1
  Fe  Fe36  1  0.334665  0.795457  0.541728  1
  Fe  Fe37  1  0.182548  0.527353  0.736845  1
  Fe  Fe38  1  0.174911  0.012407  0.681692  1
  Fe  Fe39  1  0.511348  0.250444  0.643748  1
  Fe  Fe40  1  0.534509  0.770714  0.703382  1
  Fe  Fe41  1  0.515023  0.659439  0.656126  1
  Fe  Fe42  1  0.514540  0.178025  0.713380  1
  Fe  Fe43  1  0.163628  0.420288  0.692010  1
  Fe  Fe44  1  0.130897  0.949442  0.747364  1
  Fe  Fe45  1  0.339881  0.575713  0.636992  1
  Fe  Fe46  1  0.350402  0.096071  0.698817  1
  Fe  Fe47  1  0.328580  0.355375  0.723641  1
  Fe  Fe48  1  0.350387  0.835660  0.669574  1
  P  P49  1  0.831305  0.364245  0.367817  1
  P  P50  1  0.806662  0.845403  0.305473  1
  P  P51  1  0.830254  0.086835  0.269488  1
  P  P52  1  0.799316  0.604734  0.332025  1
  P  P53  1  0.790529  0.583810  0.268378  1
  P  P54  1  0.814898  0.104804  0.333324  1
  P  P55  1  0.841624  0.344828  0.303661  1
  P  P56  1  0.829359  0.865564  0.369276  1
  P  P57  1  0.316497  0.335740  0.272748  1
  P  P58  1  0.301954  0.856891  0.337060  1
  P  P59  1  0.309962  0.594902  0.300836  1
  P  P60  1  0.353401  0.076771  0.238206  1
  P  P61  1  0.178401  0.164375  0.259036  1
  P  P62  1  0.131715  0.682637  0.324603  1
  P  P63  1  0.500895  0.444051  0.356437  1
  P  P64  1  0.482962  0.924502  0.291798  1
  P  P65  1  0.503833  0.267165  0.313925  1
  P  P66  1  0.465724  0.748630  0.252923  1
  P  P67  1  0.108211  0.506483  0.281131  1
  P  P68  1  0.138984  0.025461  0.344923  1
  P  P69  1  0.986139  0.273762  0.347152  1
  P  P70  1  0.977509  0.753825  0.283434  1
  P  P71  1  0.626946  0.490045  0.246741  1
  P  P72  1  0.659605  0.014131  0.311280  1
  P  P73  1  0.666773  0.195669  0.352828  1
  P  P74  1  0.649198  0.675532  0.288878  1
  P  P75  1  0.008880  0.415359  0.259273  1
  P  P76  1  0.962933  0.937166  0.326090  1
  P  P77  1  0.173557  0.184283  0.322460  1
  P  P78  1  0.154397  0.665005  0.260559  1
  P  P79  1  0.494752  0.424050  0.293335  1
  P  P80  1  0.468749  0.945033  0.356450  1
  P  P81  1  0.483852  0.246397  0.253767  1
  P  P82  1  0.467692  0.765868  0.315544  1
  P  P83  1  0.161386  0.524358  0.344683  1
  P  P84  1  0.161270  0.005019  0.280738  1
  P  P85  1  0.999162  0.435119  0.325182  1
  P  P86  1  0.978252  0.916076  0.262473  1
  P  P87  1  0.661587  0.174861  0.290474  1
  P  P88  1  0.641626  0.695695  0.354315  1
  P  P89  1  0.633590  0.515005  0.313178  1
  P  P90  1  0.646232  0.995991  0.250914  1
  P  P91  1  0.998210  0.254473  0.282372  1
  P  P92  1  0.988257  0.774477  0.347012  1
  P  P93  1  0.318230  0.354915  0.336423  1
  P  P94  1  0.281496  0.836313  0.274633  1
  P  P95  1  0.322926  0.092795  0.302466  1
  P  P96  1  0.312702  0.570774  0.238581  1
  P  P97  1  0.836768  0.404951  0.495576  1
  P  P98  1  0.830791  0.884832  0.432988  1
  P  P99  1  0.812942  0.124477  0.396279  1
  P  P100  1  0.813040  0.644766  0.459294  1
  P  P101  1  0.813777  0.625347  0.395785  1
  P  P102  1  0.822018  0.145370  0.459696  1
  P  P103  1  0.839175  0.385172  0.431900  1
  P  P104  1  0.843475  0.905782  0.496638  1
  P  P105  1  0.316055  0.376133  0.399860  1
  P  P106  1  0.317595  0.896642  0.464389  1
  P  P107  1  0.330430  0.635260  0.427453  1
  P  P108  1  0.331122  0.114878  0.364301  1
  P  P109  1  0.150200  0.202594  0.386832  1
  P  P110  1  0.149052  0.722879  0.451090  1
  P  P111  1  0.508322  0.484184  0.483664  1
  P  P112  1  0.503819  0.963771  0.420437  1
  P  P113  1  0.502800  0.307251  0.440644  1
  P  P114  1  0.493871  0.787741  0.377800  1
  P  P115  1  0.141620  0.545980  0.408158  1
  P  P116  1  0.149482  0.066310  0.471842  1
  P  P117  1  0.987376  0.313963  0.474894  1
  P  P118  1  0.979564  0.794141  0.412080  1
  P  P119  1  0.663171  0.533713  0.375544  1
  P  P120  1  0.670561  0.053507  0.438880  1
  P  P121  1  0.671193  0.236170  0.479993  1
  P  P122  1  0.663940  0.716282  0.416637  1
  P  P123  1  0.978413  0.455961  0.389315  1
  P  P124  1  0.982260  0.976643  0.453577  1
  P  P125  1  0.175827  0.224383  0.450228  1
  P  P126  1  0.167279  0.704833  0.386899  1
  P  P127  1  0.475777  0.465183  0.420043  1
  P  P128  1  0.481695  0.985451  0.484054  1
  P  P129  1  0.478064  0.285390  0.377533  1
  P  P130  1  0.475596  0.805799  0.441763  1
  P  P131  1  0.174756  0.565080  0.471706  1
  P  P132  1  0.172445  0.044679  0.408392  1
  P  P133  1  1.002320  0.476178  0.452580  1
  P  P134  1  0.998330  0.955798  0.389486  1
  P  P135  1  0.653019  0.215826  0.417229  1
  P  P136  1  0.653806  0.736133  0.480941  1
  P  P137  1  0.646655  0.554151  0.439177  1
  P  P138  1  0.645511  0.033338  0.375799  1
  P  P139  1  0.999660  0.293892  0.410398  1
  P  P140  1  1.001739  0.814397  0.475119  1
  P  P141  1  0.319784  0.395057  0.463976  1
  P  P142  1  0.312723  0.875081  0.401142  1
  P  P143  1  0.336598  0.133700  0.428074  1
  P  P144  1  0.325293  0.613442  0.364399  1
  P  P145  1  0.844442  0.445447  0.622599  1
  P  P146  1  0.844884  0.925208  0.560048  1
  P  P147  1  0.820171  0.165049  0.523196  1
  P  P148  1  0.825253  0.684803  0.586542  1
  P  P149  1  0.825091  0.665572  0.522927  1
  P  P150  1  0.828839  0.186120  0.586934  1
  P  P151  1  0.846006  0.425907  0.559154  1
  P  P152  1  0.858536  0.946295  0.623144  1
  P  P153  1  0.322714  0.416802  0.527152  1
  P  P154  1  0.332864  0.937234  0.591470  1
  P  P155  1  0.342822  0.675403  0.554853  1
  P  P156  1  0.338605  0.155273  0.491245  1
  P  P157  1  0.156538  0.242961  0.514298  1
  P  P158  1  0.161911  0.762963  0.578391  1
  P  P159  1  0.517150  0.524609  0.610889  1
  P  P160  1  0.516324  0.004479  0.547726  1
  P  P161  1  0.509862  0.347695  0.567592  1
  P  P162  1  0.506973  0.827750  0.504978  1
  P  P163  1  0.152715  0.586536  0.535295  1
  P  P164  1  0.157882  0.106927  0.598879  1
  P  P165  1  0.993014  0.354173  0.601400  1
  P  P166  1  0.992535  0.834379  0.539677  1
  P  P167  1  0.673999  0.573863  0.502247  1
  P  P168  1  0.679947  0.094322  0.566085  1
  P  P169  1  0.676344  0.276643  0.607546  1
  P  P170  1  0.676234  0.756359  0.543700  1
  P  P171  1  0.986969  0.496816  0.516600  1
  P  P172  1  0.994301  0.017257  0.580639  1
  P  P173  1  0.182932  0.264832  0.577521  1
  P  P174  1  0.179825  0.744769  0.514315  1
  P  P175  1  0.485041  0.505609  0.547209  1
  P  P176  1  0.492398  0.026269  0.611382  1
  P  P177  1  0.483509  0.325839  0.504576  1
  P  P178  1  0.488840  0.846134  0.569198  1
  P  P179  1  0.186413  0.605516  0.599115  1
  P  P180  1  0.182825  0.085260  0.535485  1
  P  P181  1  0.012496  0.516752  0.579801  1
  P  P182  1  0.010344  0.996459  0.516713  1
  P  P183  1  0.660373  0.256491  0.544445  1
  P  P184  1  0.667983  0.776354  0.607948  1
  P  P185  1  0.658450  0.594323  0.566279  1
  P  P186  1  0.655540  0.074181  0.502874  1
  P  P187  1  1.007395  0.334402  0.537459  1
  P  P188  1  0.016021  0.854812  0.602607  1
  P  P189  1  0.327178  0.435469  0.591280  1
  P  P190  1  0.326654  0.915380  0.528398  1
  P  P191  1  0.344402  0.174289  0.555328  1
  P  P192  1  0.338269  0.653867  0.491561  1
  P  P193  1  0.879094  0.488305  0.749311  1
  P  P194  1  0.852402  0.965828  0.685295  1
  P  P195  1  0.825664  0.205963  0.650653  1
  P  P196  1  0.828763  0.723363  0.713219  1
  P  P197  1  0.837610  0.705620  0.650148  1
  P  P198  1  0.810775  0.223186  0.715923  1
  P  P199  1  0.860155  0.464812  0.686224  1
  P  P200  1  0.828000  0.982536  0.749250  1
  P  P201  1  0.333380  0.457239  0.654654  1
  P  P202  1  0.347861  0.977654  0.717981  1
  P  P203  1  0.353135  0.715801  0.682637  1
  P  P204  1  0.344712  0.195789  0.618862  1
  P  P205  1  0.162378  0.283952  0.641482  1
  P  P206  1  0.177797  0.801606  0.706592  1
  P  P207  1  0.495915  0.564902  0.739931  1
  P  P208  1  0.532364  0.044652  0.674910  1
  P  P209  1  0.523750  0.387115  0.693432  1
  P  P210  1  0.522635  0.868825  0.632652  1
  P  P211  1  0.162612  0.626894  0.662668  1
  P  P212  1  0.195925  0.148246  0.728218  1
  P  P213  1  0.999557  0.391205  0.729700  1
  P  P214  1  0.015634  0.875357  0.667078  1
  P  P215  1  0.684226  0.614038  0.629770  1
  P  P216  1  0.712488  0.132493  0.693291  1
  P  P217  1  0.618159  0.314203  0.736597  1
  P  P218  1  0.702458  0.797901  0.669709  1
  P  P219  1  0.996590  0.536895  0.643730  1
  P  P220  1  0.018970  0.056202  0.710261  1
  P  P221  1  0.152586  0.302727  0.704767  1
  P  P222  1  0.197546  0.785415  0.641380  1
  P  P223  1  0.494446  0.545596  0.674581  1
  P  P224  1  0.511143  0.068583  0.737960  1
  P  P225  1  0.490761  0.365987  0.631453  1
  P  P226  1  0.505986  0.886401  0.697597  1
  P  P227  1  0.192140  0.646053  0.724263  1
  P  P228  1  0.193215  0.124904  0.662353  1
  P  P229  1  1.005457  0.557735  0.705626  1
  P  P230  1  0.021182  0.037181  0.643969  1
  P  P231  1  0.659662  0.295963  0.672496  1
  P  P232  1  0.664307  0.811223  0.735327  1
  P  P233  1  0.663801  0.633861  0.694171  1
  P  P234  1  0.664405  0.115095  0.630167  1
  P  P235  1  0.011018  0.374515  0.663057  1
  P  P236  1  0.015752  0.891878  0.729056  1
  P  P237  1  0.356429  0.472038  0.719587  1
  P  P238  1  0.340044  0.955953  0.655666  1
  P  P239  1  0.336863  0.215179  0.682972  1
  P  P240  1  0.351778  0.694307  0.619173  1
