# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67612944
_cell_length_b   21.49971338
_cell_length_c   51.60240727
_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   'Fe48 P192'
_cell_volume   10735.0556894
_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  0.124484  0.923461  0.321335  1
  Fe  Fe2  1  0.123799  0.623433  0.362702  1
  Fe  Fe3  1  0.127952  0.224813  0.280328  1
  Fe  Fe4  1  0.376929  0.724813  0.280328  1
  Fe  Fe5  1  0.380396  0.423461  0.321335  1
  Fe  Fe6  1  0.381081  0.123433  0.362702  1
  Fe  Fe7  1  0.622055  0.773898  0.341900  1
  Fe  Fe8  1  0.631321  0.375980  0.260336  1
  Fe  Fe9  1  0.626142  0.074576  0.300968  1
  Fe  Fe10  1  0.873559  0.875980  0.260336  1
  Fe  Fe11  1  0.878739  0.574576  0.300968  1
  Fe  Fe12  1  0.882825  0.273898  0.341900  1
  Fe  Fe13  1  0.124375  0.022265  0.446382  1
  Fe  Fe14  1  0.123935  0.721716  0.488064  1
  Fe  Fe15  1  0.124618  0.322945  0.404646  1
  Fe  Fe16  1  0.380263  0.822945  0.404646  1
  Fe  Fe17  1  0.380505  0.522265  0.446382  1
  Fe  Fe18  1  0.380945  0.221716  0.488064  1
  Fe  Fe19  1  0.624140  0.871982  0.467211  1
  Fe  Fe20  1  0.623685  0.473321  0.383870  1
  Fe  Fe21  1  0.624928  0.172544  0.425489  1
  Fe  Fe22  1  0.881195  0.973321  0.383870  1
  Fe  Fe23  1  0.879952  0.672544  0.425489  1
  Fe  Fe24  1  0.880740  0.371982  0.467211  1
  Fe  Fe25  1  0.124928  0.120631  0.571530  1
  Fe  Fe26  1  0.123685  0.819853  0.613149  1
  Fe  Fe27  1  0.124140  0.421193  0.529808  1
  Fe  Fe28  1  0.380740  0.921193  0.529808  1
  Fe  Fe29  1  0.379952  0.620631  0.571530  1
  Fe  Fe30  1  0.381195  0.319853  0.613149  1
  Fe  Fe31  1  0.624618  0.970230  0.592373  1
  Fe  Fe32  1  0.623935  0.571458  0.508955  1
  Fe  Fe33  1  0.624375  0.270910  0.550637  1
  Fe  Fe34  1  0.880945  0.071458  0.508955  1
  Fe  Fe35  1  0.880505  0.770910  0.550637  1
  Fe  Fe36  1  0.880263  0.470230  0.592373  1
  Fe  Fe37  1  0.126142  0.218599  0.696051  1
  Fe  Fe38  1  0.131321  0.917195  0.736683  1
  Fe  Fe39  1  0.122055  0.519277  0.655119  1
  Fe  Fe40  1  0.382825  0.019277  0.655119  1
  Fe  Fe41  1  0.378739  0.718599  0.696051  1
  Fe  Fe42  1  0.373559  0.417195  0.736683  1
  Fe  Fe43  1  0.627952  0.068362  0.716691  1
  Fe  Fe44  1  0.623799  0.669741  0.634317  1
  Fe  Fe45  1  0.624484  0.369714  0.675684  1
  Fe  Fe46  1  0.881081  0.169741  0.634317  1
  Fe  Fe47  1  0.880396  0.869714  0.675684  1
  Fe  Fe48  1  0.876929  0.568362  0.716691  1
  P  P49  1  0.754022  0.700844  0.251196  1
  P  P50  1  0.762386  0.401254  0.292350  1
  P  P51  1  0.758601  0.100056  0.333300  1
  P  P52  1  0.988681  0.700223  0.352094  1
  P  P53  1  0.994047  0.302118  0.268742  1
  P  P54  1  0.991657  1.000580  0.309881  1
  P  P55  1  0.245544  0.750742  0.312667  1
  P  P56  1  0.250354  0.449662  0.354114  1
  P  P57  1  0.252821  0.048390  0.271078  1
  P  P58  1  0.014263  0.650548  0.288894  1
  P  P59  1  0.017789  0.350842  0.331243  1
  P  P60  1  0.015379  0.050190  0.372997  1
  P  P61  1  0.248437  0.797014  0.371974  1
  P  P62  1  0.257407  0.397933  0.287132  1
  P  P63  1  0.250125  0.097396  0.329776  1
  P  P64  1  0.752887  0.747371  0.309116  1
  P  P65  1  0.754883  0.447567  0.351151  1
  P  P66  1  0.749978  0.048608  0.266889  1
  P  P67  1  0.008671  0.798244  0.269031  1
  P  P68  1  0.015593  0.497806  0.311863  1
  P  P69  1  0.016110  0.196707  0.352754  1
  P  P70  1  0.988589  0.846917  0.331969  1
  P  P71  1  1.000676  0.452358  0.251728  1
  P  P72  1  0.993603  0.147100  0.290079  1
  P  P73  1  0.254526  0.949662  0.354114  1
  P  P74  1  0.252059  0.548390  0.271078  1
  P  P75  1  0.259337  0.250742  0.312667  1
  P  P76  1  0.487092  0.850842  0.331243  1
  P  P77  1  0.489501  0.550190  0.372997  1
  P  P78  1  0.490618  0.150548  0.288894  1
  P  P79  1  0.742494  0.901254  0.292350  1
  P  P80  1  0.746279  0.600056  0.333300  1
  P  P81  1  0.750859  0.200844  0.251196  1
  P  P82  1  0.510833  0.802118  0.268742  1
  P  P83  1  0.513223  0.500580  0.309881  1
  P  P84  1  0.516199  0.200223  0.352094  1
  P  P85  1  0.749997  0.947567  0.351151  1
  P  P86  1  0.754903  0.548608  0.266889  1
  P  P87  1  0.751993  0.247371  0.309116  1
  P  P88  1  0.247473  0.897933  0.287132  1
  P  P89  1  0.254755  0.597396  0.329776  1
  P  P90  1  0.256443  0.297014  0.371974  1
  P  P91  1  0.511277  0.647100  0.290079  1
  P  P92  1  0.516291  0.346917  0.331969  1
  P  P93  1  0.504205  0.952358  0.251728  1
  P  P94  1  0.488770  0.696707  0.352754  1
  P  P95  1  0.496209  0.298244  0.269031  1
  P  P96  1  0.489287  0.997806  0.311863  1
  P  P97  1  0.753778  0.799369  0.374722  1
  P  P98  1  0.754945  0.498911  0.416672  1
  P  P99  1  0.755652  0.198312  0.458336  1
  P  P100  1  0.990106  0.798841  0.477365  1
  P  P101  1  0.990694  0.400057  0.393920  1
  P  P102  1  0.990884  0.099471  0.435667  1
  P  P103  1  0.249432  0.848595  0.437499  1
  P  P104  1  0.249462  0.548046  0.479195  1
  P  P105  1  0.250611  0.149033  0.395658  1
  P  P106  1  0.013750  0.749625  0.414767  1
  P  P107  1  0.014444  0.449169  0.456544  1
  P  P108  1  0.014840  0.148577  0.498260  1
  P  P109  1  0.249732  0.895423  0.496988  1
  P  P110  1  0.249533  0.496572  0.413562  1
  P  P111  1  0.250106  0.196000  0.455210  1
  P  P112  1  0.754806  0.846241  0.434337  1
  P  P113  1  0.754920  0.545724  0.476134  1
  P  P114  1  0.756067  0.146934  0.392657  1
  P  P115  1  0.014034  0.895893  0.394559  1
  P  P116  1  0.014141  0.595518  0.436211  1
  P  P117  1  0.014709  0.294866  0.477885  1
  P  P118  1  0.990428  0.945154  0.457079  1
  P  P119  1  0.989969  0.546591  0.373820  1
  P  P120  1  0.991009  0.245722  0.415309  1
  P  P121  1  0.255419  0.048046  0.479195  1
  P  P122  1  0.254270  0.649033  0.395658  1
  P  P123  1  0.255449  0.348595  0.437499  1
  P  P124  1  0.490436  0.949169  0.456544  1
  P  P125  1  0.490040  0.648577  0.498260  1
  P  P126  1  0.491130  0.249625  0.414767  1
  P  P127  1  0.749935  0.998911  0.416672  1
  P  P128  1  0.749229  0.698312  0.458336  1
  P  P129  1  0.751102  0.299369  0.374722  1
  P  P130  1  0.514186  0.900057  0.393920  1
  P  P131  1  0.513996  0.599471  0.435667  1
  P  P132  1  0.514774  0.298841  0.477365  1
  P  P133  1  0.749960  0.045724  0.476134  1
  P  P134  1  0.748813  0.646934  0.392657  1
  P  P135  1  0.750074  0.346241  0.434337  1
  P  P136  1  0.255348  0.996572  0.413562  1
  P  P137  1  0.254775  0.696000  0.455210  1
  P  P138  1  0.255148  0.395423  0.496988  1
  P  P139  1  0.513871  0.745722  0.415309  1
  P  P140  1  0.514453  0.445154  0.457079  1
  P  P141  1  0.514912  0.046591  0.373820  1
  P  P142  1  0.490172  0.794866  0.477885  1
  P  P143  1  0.490846  0.395893  0.394559  1
  P  P144  1  0.490740  0.095518  0.436211  1
  P  P145  1  0.755148  0.897752  0.500031  1
  P  P146  1  0.754775  0.597175  0.541809  1
  P  P147  1  0.755348  0.296603  0.583456  1
  P  P148  1  0.990846  0.897281  0.602460  1
  P  P149  1  0.990172  0.498309  0.519134  1
  P  P150  1  0.990740  0.197657  0.560808  1
  P  P151  1  0.250074  0.946934  0.562682  1
  P  P152  1  0.248813  0.646241  0.604362  1
  P  P153  1  0.249960  0.247451  0.520884  1
  P  P154  1  0.014453  0.848021  0.539939  1
  P  P155  1  0.013871  0.547453  0.581710  1
  P  P156  1  0.014912  0.246584  0.623199  1
  P  P157  1  0.251102  0.993806  0.622296  1
  P  P158  1  0.249229  0.594863  0.538683  1
  P  P159  1  0.249935  0.294263  0.580347  1
  P  P160  1  0.755449  0.944580  0.559520  1
  P  P161  1  0.754270  0.644142  0.601361  1
  P  P162  1  0.755419  0.245129  0.517824  1
  P  P163  1  0.014774  0.994334  0.519654  1
  P  P164  1  0.013996  0.693704  0.561352  1
  P  P165  1  0.014186  0.393118  0.603098  1
  P  P166  1  0.991130  0.043550  0.582252  1
  P  P167  1  0.990040  0.644598  0.498759  1
  P  P168  1  0.990436  0.344006  0.540474  1
  P  P169  1  0.256067  0.146241  0.604362  1
  P  P170  1  0.254920  0.747451  0.520884  1
  P  P171  1  0.254806  0.446934  0.562682  1
  P  P172  1  0.491009  0.047453  0.581710  1
  P  P173  1  0.489969  0.746584  0.623199  1
  P  P174  1  0.490428  0.348021  0.539939  1
  P  P175  1  0.750106  0.097175  0.541809  1
  P  P176  1  0.749533  0.796603  0.583456  1
  P  P177  1  0.749732  0.397752  0.500031  1
  P  P178  1  0.514709  0.998309  0.519134  1
  P  P179  1  0.514141  0.697657  0.560808  1
  P  P180  1  0.514034  0.397281  0.602460  1
  P  P181  1  0.750611  0.144142  0.601361  1
  P  P182  1  0.749462  0.745129  0.517824  1
  P  P183  1  0.749432  0.444580  0.559520  1
  P  P184  1  0.255652  0.094863  0.538683  1
  P  P185  1  0.254945  0.794263  0.580347  1
  P  P186  1  0.253778  0.493806  0.622296  1
  P  P187  1  0.514444  0.844006  0.540474  1
  P  P188  1  0.513750  0.543550  0.582252  1
  P  P189  1  0.514840  0.144598  0.498759  1
  P  P190  1  0.490694  0.893118  0.603098  1
  P  P191  1  0.490106  0.494334  0.519654  1
  P  P192  1  0.490884  0.193704  0.561352  1
  P  P193  1  0.756443  0.996161  0.625044  1
  P  P194  1  0.754755  0.695779  0.667243  1
  P  P195  1  0.747473  0.395241  0.709886  1
  P  P196  1  0.996209  0.994931  0.727988  1
  P  P197  1  0.988770  0.596468  0.644265  1
  P  P198  1  0.989287  0.295369  0.685156  1
  P  P199  1  0.251993  0.045804  0.687903  1
  P  P200  1  0.254903  0.744567  0.730129  1
  P  P201  1  0.249997  0.345608  0.645868  1
  P  P202  1  0.016291  0.946257  0.665050  1
  P  P203  1  0.011277  0.646075  0.706940  1
  P  P204  1  0.004205  0.340817  0.745291  1
  P  P205  1  0.250859  0.092331  0.745823  1
  P  P206  1  0.246279  0.693119  0.663719  1
  P  P207  1  0.242494  0.391920  0.704669  1
  P  P208  1  0.759337  0.042432  0.684352  1
  P  P209  1  0.752059  0.744785  0.725940  1
  P  P210  1  0.754526  0.343513  0.642905  1
  P  P211  1  0.016199  0.092952  0.644925  1
  P  P212  1  0.013223  0.792595  0.687138  1
  P  P213  1  0.010833  0.491056  0.728277  1
  P  P214  1  0.990618  0.142627  0.708125  1
  P  P215  1  0.989501  0.742985  0.624022  1
  P  P216  1  0.987092  0.442333  0.665775  1
  P  P217  1  0.249978  0.244567  0.730129  1
  P  P218  1  0.254883  0.845608  0.645868  1
  P  P219  1  0.252887  0.545804  0.687903  1
  P  P220  1  0.493603  0.146075  0.706940  1
  P  P221  1  0.500676  0.840817  0.745291  1
  P  P222  1  0.488589  0.446257  0.665050  1
  P  P223  1  0.750125  0.195779  0.667243  1
  P  P224  1  0.757407  0.895241  0.709886  1
  P  P225  1  0.748437  0.496161  0.625044  1
  P  P226  1  0.516110  0.096468  0.644265  1
  P  P227  1  0.515593  0.795369  0.685156  1
  P  P228  1  0.508671  0.494931  0.727988  1
  P  P229  1  0.752821  0.244785  0.725940  1
  P  P230  1  0.750354  0.843513  0.642905  1
  P  P231  1  0.745544  0.542432  0.684352  1
  P  P232  1  0.258601  0.193119  0.663719  1
  P  P233  1  0.262386  0.891920  0.704669  1
  P  P234  1  0.254022  0.592331  0.745823  1
  P  P235  1  0.517789  0.942333  0.665775  1
  P  P236  1  0.514263  0.642627  0.708125  1
  P  P237  1  0.515379  0.242985  0.624022  1
  P  P238  1  0.494047  0.991056  0.728277  1
  P  P239  1  0.488681  0.592952  0.644925  1
  P  P240  1  0.491657  0.292595  0.687138  1
