# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.69200950
_cell_length_b   16.65985112
_cell_length_c   47.84477728
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.78763870
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   12519.3733228
_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  0.692868  0.927521  0.391547  1
  Fe  Fe2  1  0.070347  0.056646  0.321243  1
  Fe  Fe3  1  0.192868  0.427521  0.391547  1
  Fe  Fe4  1  0.570347  0.556646  0.321243  1
  Fe  Fe5  1  0.379730  0.238352  0.357460  1
  Fe  Fe6  1  0.756171  0.365889  0.288253  1
  Fe  Fe7  1  0.879730  0.738352  0.357460  1
  Fe  Fe8  1  0.256171  0.865889  0.288253  1
  Fe  Fe9  1  0.380684  0.990916  0.355324  1
  Fe  Fe10  1  0.004856  0.862909  0.428042  1
  Fe  Fe11  1  0.880684  0.490916  0.355324  1
  Fe  Fe12  1  0.504856  0.362909  0.428042  1
  Fe  Fe13  1  0.692908  0.174343  0.393351  1
  Fe  Fe14  1  0.064183  0.297960  0.322426  1
  Fe  Fe15  1  0.192908  0.674343  0.393351  1
  Fe  Fe16  1  0.564183  0.797960  0.322426  1
  Fe  Fe17  1  0.943792  0.672286  0.535294  1
  Fe  Fe18  1  0.318021  0.799445  0.463648  1
  Fe  Fe19  1  0.443792  0.172286  0.535294  1
  Fe  Fe20  1  0.818021  0.299445  0.463648  1
  Fe  Fe21  1  0.632034  0.983527  0.500537  1
  Fe  Fe22  1  0.005938  0.110512  0.428990  1
  Fe  Fe23  1  0.132034  0.483527  0.500537  1
  Fe  Fe24  1  0.505938  0.610512  0.428990  1
  Fe  Fe25  1  0.631024  0.736167  0.499499  1
  Fe  Fe26  1  0.257120  0.609182  0.571045  1
  Fe  Fe27  1  0.131024  0.236167  0.499499  1
  Fe  Fe28  1  0.757120  0.109182  0.571045  1
  Fe  Fe29  1  0.945038  0.920249  0.536387  1
  Fe  Fe30  1  0.319266  0.047408  0.464741  1
  Fe  Fe31  1  0.445038  0.420249  0.536387  1
  Fe  Fe32  1  0.819266  0.547408  0.464741  1
  Fe  Fe33  1  0.198875  0.421734  0.677609  1
  Fe  Fe34  1  0.570150  0.545351  0.606684  1
  Fe  Fe35  1  0.698875  0.921734  0.677609  1
  Fe  Fe36  1  0.070150  0.045351  0.606684  1
  Fe  Fe37  1  0.882374  0.728778  0.644711  1
  Fe  Fe38  1  0.258202  0.856785  0.571993  1
  Fe  Fe39  1  0.382374  0.228778  0.644711  1
  Fe  Fe40  1  0.758202  0.356785  0.571993  1
  Fe  Fe41  1  0.883328  0.481342  0.642575  1
  Fe  Fe42  1  0.506888  0.353805  0.711782  1
  Fe  Fe43  1  0.383328  0.981342  0.642575  1
  Fe  Fe44  1  0.006888  0.853805  0.711782  1
  Fe  Fe45  1  0.192711  0.663048  0.678792  1
  Fe  Fe46  1  0.570190  0.792173  0.608488  1
  Fe  Fe47  1  0.692711  0.163048  0.678792  1
  Fe  Fe48  1  0.070190  0.292173  0.608488  1
  P  P49  1  0.444166  0.053697  0.393583  1
  P  P50  1  0.818664  0.182111  0.323383  1
  P  P51  1  0.944166  0.553697  0.393583  1
  P  P52  1  0.318664  0.682111  0.323383  1
  P  P53  1  0.380313  0.865880  0.426152  1
  P  P54  1  0.755195  0.992983  0.353813  1
  P  P55  1  0.880313  0.365880  0.426152  1
  P  P56  1  0.255195  0.492983  0.353813  1
  P  P57  1  0.250349  0.993510  0.285351  1
  P  P58  1  0.881060  0.870030  0.356917  1
  P  P59  1  0.750349  0.493510  0.285351  1
  P  P60  1  0.381060  0.370030  0.356917  1
  P  P61  1  0.196337  0.301259  0.321619  1
  P  P62  1  0.822680  0.172957  0.393773  1
  P  P63  1  0.696337  0.801259  0.321619  1
  P  P64  1  0.322680  0.672957  0.393773  1
  P  P65  1  0.315293  0.175104  0.319626  1
  P  P66  1  0.940666  0.046391  0.391259  1
  P  P67  1  0.815293  0.675104  0.319626  1
  P  P68  1  0.440666  0.546391  0.391259  1
  P  P69  1  0.504629  0.231521  0.428019  1
  P  P70  1  0.878760  0.358789  0.356522  1
  P  P71  1  0.004629  0.731521  0.428019  1
  P  P72  1  0.378760  0.858789  0.356522  1
  P  P73  1  0.386160  0.365082  0.289157  1
  P  P74  1  0.003636  0.234219  0.360020  1
  P  P75  1  0.886160  0.865082  0.289157  1
  P  P76  1  0.503636  0.734219  0.360020  1
  P  P77  1  0.562512  0.927610  0.391343  1
  P  P78  1  0.940360  0.057867  0.318882  1
  P  P79  1  0.062512  0.427610  0.391343  1
  P  P80  1  0.440360  0.557867  0.318882  1
  P  P81  1  0.508093  0.246859  0.288986  1
  P  P82  1  0.132995  0.118937  0.359073  1
  P  P83  1  0.008093  0.746859  0.288986  1
  P  P84  1  0.632995  0.618937  0.359073  1
  P  P85  1  0.443599  0.057400  0.317824  1
  P  P86  1  0.067545  0.929393  0.390654  1
  P  P87  1  0.943599  0.557400  0.317824  1
  P  P88  1  0.567545  0.429393  0.390654  1
  P  P89  1  0.566689  0.929490  0.321461  1
  P  P90  1  0.193840  0.805987  0.393389  1
  P  P91  1  0.066689  0.429490  0.321461  1
  P  P92  1  0.693840  0.305987  0.393389  1
  P  P93  1  0.509433  0.236715  0.358369  1
  P  P94  1  0.885410  0.362919  0.286458  1
  P  P95  1  0.009433  0.736715  0.358369  1
  P  P96  1  0.385410  0.862919  0.286458  1
  P  P97  1  0.627002  0.109421  0.355955  1
  P  P98  1  0.253791  0.983410  0.427143  1
  P  P99  1  0.127002  0.609421  0.355955  1
  P  P100  1  0.753791  0.483410  0.427143  1
  P  P101  1  0.566770  0.423749  0.321429  1
  P  P102  1  0.191977  0.296094  0.391953  1
  P  P103  1  0.066770  0.923749  0.321429  1
  P  P104  1  0.691977  0.796094  0.391953  1
  P  P105  1  0.318575  0.172018  0.395081  1
  P  P106  1  0.691028  0.297963  0.324632  1
  P  P107  1  0.818575  0.672018  0.395081  1
  P  P108  1  0.191028  0.797963  0.324632  1
  P  P109  1  0.250998  0.992659  0.355761  1
  P  P110  1  0.875028  0.864233  0.427058  1
  P  P111  1  0.750998  0.492659  0.355761  1
  P  P112  1  0.375028  0.364233  0.427058  1
  P  P113  1  0.696465  0.800154  0.537117  1
  P  P114  1  0.070732  0.927213  0.465548  1
  P  P115  1  0.196465  0.300154  0.537117  1
  P  P116  1  0.570732  0.427213  0.465548  1
  P  P117  1  0.632348  0.611959  0.569288  1
  P  P118  1  0.006025  0.738684  0.497821  1
  P  P119  1  0.132348  0.111959  0.569288  1
  P  P120  1  0.506025  0.238684  0.497821  1
  P  P121  1  0.506693  0.742055  0.429110  1
  P  P122  1  0.132530  0.614963  0.500475  1
  P  P123  1  0.006693  0.242055  0.429110  1
  P  P124  1  0.632530  0.114963  0.500475  1
  P  P125  1  0.449102  0.046108  0.465443  1
  P  P126  1  0.074956  0.919032  0.537043  1
  P  P127  1  0.949102  0.546108  0.465443  1
  P  P128  1  0.574956  0.419032  0.537043  1
  P  P129  1  0.566593  0.919540  0.462918  1
  P  P130  1  0.192326  0.792481  0.534487  1
  P  P131  1  0.066593  0.419540  0.462918  1
  P  P132  1  0.692326  0.292481  0.534487  1
  P  P133  1  0.756365  0.977639  0.570925  1
  P  P134  1  0.130528  0.104731  0.499560  1
  P  P135  1  0.256365  0.477639  0.570925  1
  P  P136  1  0.630528  0.604731  0.499560  1
  P  P137  1  0.630710  0.107735  0.430747  1
  P  P138  1  0.257033  0.981010  0.502214  1
  P  P139  1  0.130710  0.607735  0.430747  1
  P  P140  1  0.757033  0.481010  0.502214  1
  P  P141  1  0.813956  0.673586  0.534593  1
  P  P142  1  0.188102  0.800662  0.462992  1
  P  P143  1  0.313956  0.173586  0.534593  1
  P  P144  1  0.688102  0.300662  0.462992  1
  P  P145  1  0.757502  0.990610  0.429469  1
  P  P146  1  0.383634  0.863588  0.501232  1
  P  P147  1  0.257502  0.490610  0.429469  1
  P  P148  1  0.883634  0.363588  0.501232  1
  P  P149  1  0.693170  0.802492  0.461948  1
  P  P150  1  0.319149  0.675368  0.533532  1
  P  P151  1  0.193170  0.302492  0.461948  1
  P  P152  1  0.819149  0.175368  0.533532  1
  P  P153  1  0.819583  0.678751  0.464845  1
  P  P154  1  0.445564  0.551660  0.536386  1
  P  P155  1  0.319583  0.178751  0.464845  1
  P  P156  1  0.945564  0.051660  0.536386  1
  P  P157  1  0.762094  0.982764  0.501246  1
  P  P158  1  0.136149  0.110014  0.429948  1
  P  P159  1  0.262094  0.482764  0.501246  1
  P  P160  1  0.636149  0.610014  0.429948  1
  P  P161  1  0.879424  0.856106  0.498803  1
  P  P162  1  0.505556  0.729084  0.570567  1
  P  P163  1  0.379424  0.356106  0.498803  1
  P  P164  1  0.005556  0.229084  0.570567  1
  P  P165  1  0.817494  0.168034  0.463649  1
  P  P166  1  0.443475  0.040943  0.535190  1
  P  P167  1  0.317494  0.668034  0.463649  1
  P  P168  1  0.943475  0.540943  0.535190  1
  P  P169  1  0.569888  0.917202  0.538088  1
  P  P170  1  0.943909  0.044326  0.466504  1
  P  P171  1  0.069888  0.417202  0.538088  1
  P  P172  1  0.443909  0.544326  0.466504  1
  P  P173  1  0.500964  0.736930  0.498790  1
  P  P174  1  0.126909  0.609680  0.570088  1
  P  P175  1  1.000964  0.236930  0.498790  1
  P  P176  1  0.626909  0.109680  0.570088  1
  P  P177  1  0.947765  0.544590  0.680409  1
  P  P178  1  0.322392  0.673303  0.608776  1
  P  P179  1  0.447765  0.044590  0.680409  1
  P  P180  1  0.822392  0.173303  0.608776  1
  P  P181  1  0.876898  0.354612  0.710878  1
  P  P182  1  0.259422  0.485475  0.640015  1
  P  P183  1  0.376898  0.854612  0.710878  1
  P  P184  1  0.759422  0.985475  0.640015  1
  P  P185  1  0.758429  0.488173  0.572017  1
  P  P186  1  0.384298  0.360905  0.643513  1
  P  P187  1  0.258429  0.988173  0.572017  1
  P  P188  1  0.884298  0.860905  0.643513  1
  P  P189  1  0.700546  0.792084  0.608693  1
  P  P190  1  0.322698  0.661827  0.681154  1
  P  P191  1  0.200546  0.292084  0.608693  1
  P  P192  1  0.822698  0.161827  0.681154  1
  P  P193  1  0.818892  0.665997  0.606453  1
  P  P194  1  0.444395  0.537583  0.676652  1
  P  P195  1  0.318892  0.165997  0.606453  1
  P  P196  1  0.944395  0.037583  0.676652  1
  P  P197  1  0.012709  0.726184  0.714684  1
  P  P198  1  0.381998  0.849664  0.643118  1
  P  P199  1  0.512709  0.226184  0.714684  1
  P  P200  1  0.881998  0.349664  0.643118  1
  P  P201  1  0.882745  0.853814  0.573883  1
  P  P202  1  0.507863  0.726711  0.646222  1
  P  P203  1  0.382745  0.353814  0.573883  1
  P  P204  1  0.007863  0.226711  0.646222  1
  P  P205  1  0.066721  0.418435  0.678417  1
  P  P206  1  0.440378  0.546737  0.606263  1
  P  P207  1  0.566721  0.918435  0.678417  1
  P  P208  1  0.940378  0.046737  0.606263  1
  P  P209  1  0.009267  0.736284  0.572892  1
  P  P210  1  0.636056  0.610273  0.644080  1
  P  P211  1  0.509267  0.236284  0.572892  1
  P  P212  1  0.136056  0.110273  0.644080  1
  P  P213  1  0.944483  0.547676  0.604954  1
  P  P214  1  0.572030  0.421731  0.675404  1
  P  P215  1  0.444483  0.047676  0.604954  1
  P  P216  1  0.072030  0.921731  0.675404  1
  P  P217  1  0.071081  0.423600  0.608082  1
  P  P218  1  0.696288  0.295945  0.678606  1
  P  P219  1  0.571081  0.923600  0.608082  1
  P  P220  1  0.196288  0.795945  0.678606  1
  P  P221  1  0.012060  0.727035  0.644275  1
  P  P222  1  0.388030  0.855461  0.572977  1
  P  P223  1  0.512060  0.227035  0.644275  1
  P  P224  1  0.888030  0.355461  0.572977  1
  P  P225  1  0.130063  0.600757  0.640962  1
  P  P226  1  0.754965  0.472835  0.711049  1
  P  P227  1  0.630063  0.100757  0.640962  1
  P  P228  1  0.254965  0.972835  0.711049  1
  P  P229  1  0.069218  0.913707  0.606646  1
  P  P230  1  0.696369  0.790204  0.678574  1
  P  P231  1  0.569218  0.413707  0.606646  1
  P  P232  1  0.196369  0.290204  0.678574  1
  P  P233  1  0.819459  0.662294  0.682212  1
  P  P234  1  0.195513  0.790301  0.609382  1
  P  P235  1  0.319459  0.162294  0.682212  1
  P  P236  1  0.695513  0.290301  0.609382  1
  P  P237  1  0.753625  0.482979  0.641666  1
  P  P238  1  0.377648  0.356775  0.713578  1
  P  P239  1  0.253625  0.982979  0.641666  1
  P  P240  1  0.877648  0.856775  0.713578  1
