# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   41.05548684
_cell_length_b   11.68729477
_cell_length_c   48.67155014
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.43034750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe96 P384'
_cell_volume   23243.6966944
_cell_formula_units_Z   96
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  0.063948  0.168973  0.382664  1
  Fe  Fe2  1  0.411770  0.390650  0.311615  1
  Fe  Fe3  1  0.736483  0.282341  0.346791  1
  Fe  Fe4  1  0.984188  0.695870  0.373978  1
  Fe  Fe5  1  0.332854  0.924166  0.311715  1
  Fe  Fe6  1  0.655954  0.808974  0.337772  1
  Fe  Fe7  1  0.033339  0.104799  0.328249  1
  Fe  Fe8  1  0.360597  0.992937  0.363927  1
  Fe  Fe9  1  0.703887  0.220528  0.298749  1
  Fe  Fe10  1  0.029913  0.605646  0.327802  1
  Fe  Fe11  1  0.357082  0.495791  0.364722  1
  Fe  Fe12  1  0.702149  0.720862  0.298375  1
  Fe  Fe13  1  0.236483  0.282341  0.346791  1
  Fe  Fe14  1  0.563948  0.168973  0.382664  1
  Fe  Fe15  1  0.911770  0.390650  0.311615  1
  Fe  Fe16  1  0.155954  0.808974  0.337772  1
  Fe  Fe17  1  0.484188  0.695870  0.373978  1
  Fe  Fe18  1  0.832854  0.924166  0.311715  1
  Fe  Fe19  1  0.203887  0.220528  0.298749  1
  Fe  Fe20  1  0.533339  0.104799  0.328249  1
  Fe  Fe21  1  0.860597  0.992937  0.363927  1
  Fe  Fe22  1  0.202149  0.720862  0.298375  1
  Fe  Fe23  1  0.529913  0.605646  0.327802  1
  Fe  Fe24  1  0.857082  0.495791  0.364722  1
  Fe  Fe25  1  0.046159  0.836182  0.494599  1
  Fe  Fe26  1  0.391256  0.057819  0.420373  1
  Fe  Fe27  1  0.718874  0.947676  0.456657  1
  Fe  Fe28  1  0.965991  0.363098  0.485693  1
  Fe  Fe29  1  0.311233  0.585857  0.410366  1
  Fe  Fe30  1  0.638656  0.474867  0.447814  1
  Fe  Fe31  1  0.016707  0.772987  0.440071  1
  Fe  Fe32  1  0.344282  0.662031  0.476771  1
  Fe  Fe33  1  0.689364  0.888152  0.402058  1
  Fe  Fe34  1  0.011725  0.274983  0.439511  1
  Fe  Fe35  1  0.339244  0.164091  0.476410  1
  Fe  Fe36  1  0.684510  0.389326  0.401679  1
  Fe  Fe37  1  0.218874  0.947676  0.456657  1
  Fe  Fe38  1  0.546159  0.836182  0.494599  1
  Fe  Fe39  1  0.891256  0.057819  0.420373  1
  Fe  Fe40  1  0.138656  0.474867  0.447814  1
  Fe  Fe41  1  0.465991  0.363098  0.485693  1
  Fe  Fe42  1  0.811233  0.585857  0.410366  1
  Fe  Fe43  1  0.189364  0.888152  0.402058  1
  Fe  Fe44  1  0.516707  0.772987  0.440071  1
  Fe  Fe45  1  0.844282  0.662031  0.476771  1
  Fe  Fe46  1  0.184510  0.389326  0.401679  1
  Fe  Fe47  1  0.511725  0.274983  0.439511  1
  Fe  Fe48  1  0.839244  0.164091  0.476410  1
  Fe  Fe49  1  0.027870  0.502971  0.606911  1
  Fe  Fe50  1  0.373792  0.724803  0.531759  1
  Fe  Fe51  1  0.700824  0.613366  0.567863  1
  Fe  Fe52  1  0.948322  0.029435  0.598195  1
  Fe  Fe53  1  0.293510  0.251963  0.522291  1
  Fe  Fe54  1  0.620845  0.141102  0.559356  1
  Fe  Fe55  1  0.998423  0.439413  0.551949  1
  Fe  Fe56  1  0.326344  0.329247  0.588412  1
  Fe  Fe57  1  0.671351  0.551383  0.513532  1
  Fe  Fe58  1  0.994008  0.941157  0.551430  1
  Fe  Fe59  1  0.321841  0.829541  0.588122  1
  Fe  Fe60  1  0.666579  0.053297  0.513076  1
  Fe  Fe61  1  0.200824  0.613366  0.567863  1
  Fe  Fe62  1  0.527870  0.502971  0.606911  1
  Fe  Fe63  1  0.873792  0.724803  0.531759  1
  Fe  Fe64  1  0.120845  0.141102  0.559356  1
  Fe  Fe65  1  0.448322  0.029435  0.598195  1
  Fe  Fe66  1  0.793510  0.251963  0.522291  1
  Fe  Fe67  1  0.171351  0.551383  0.513532  1
  Fe  Fe68  1  0.498423  0.439413  0.551949  1
  Fe  Fe69  1  0.826344  0.329247  0.588412  1
  Fe  Fe70  1  0.166579  0.053297  0.513076  1
  Fe  Fe71  1  0.494008  0.941157  0.551430  1
  Fe  Fe72  1  0.821841  0.829541  0.588122  1
  Fe  Fe73  1  0.012540  0.173344  0.709392  1
  Fe  Fe74  1  0.352734  0.398837  0.644915  1
  Fe  Fe75  1  0.682728  0.283662  0.680314  1
  Fe  Fe76  1  0.932503  0.699111  0.700837  1
  Fe  Fe77  1  0.276550  0.918761  0.635206  1
  Fe  Fe78  1  0.604231  0.809733  0.671879  1
  Fe  Fe79  1  0.981263  0.103771  0.661060  1
  Fe  Fe80  1  0.300660  0.983248  0.688004  1
  Fe  Fe81  1  0.653467  0.217399  0.625517  1
  Fe  Fe82  1  0.977286  0.605329  0.660554  1
  Fe  Fe83  1  0.304680  0.481736  0.687775  1
  Fe  Fe84  1  0.648581  0.719445  0.624700  1
  Fe  Fe85  1  0.182728  0.283662  0.680314  1
  Fe  Fe86  1  0.512540  0.173344  0.709392  1
  Fe  Fe87  1  0.852734  0.398837  0.644915  1
  Fe  Fe88  1  0.104231  0.809733  0.671879  1
  Fe  Fe89  1  0.432503  0.699111  0.700837  1
  Fe  Fe90  1  0.776550  0.918761  0.635206  1
  Fe  Fe91  1  0.153467  0.217399  0.625517  1
  Fe  Fe92  1  0.481263  0.103771  0.661060  1
  Fe  Fe93  1  0.800660  0.983248  0.688004  1
  Fe  Fe94  1  0.148581  0.719445  0.624700  1
  Fe  Fe95  1  0.477286  0.605329  0.660554  1
  Fe  Fe96  1  0.804680  0.481736  0.687775  1
  P  P97  1  0.076526  0.171187  0.302240  1
  P  P98  1  0.405345  0.062302  0.340177  1
  P  P99  1  0.732199  0.952587  0.375307  1
  P  P100  1  0.995402  0.698985  0.293477  1
  P  P101  1  0.325177  0.588840  0.329942  1
  P  P102  1  0.651395  0.479972  0.366747  1
  P  P103  1  0.995435  0.196437  0.293802  1
  P  P104  1  0.323221  0.098029  0.331035  1
  P  P105  1  0.650795  0.979981  0.366928  1
  P  P106  1  0.985444  0.528397  0.347745  1
  P  P107  1  0.312219  0.417575  0.384028  1
  P  P108  1  0.656702  0.642729  0.308171  1
  P  P109  1  0.988084  0.032027  0.349268  1
  P  P110  1  0.315133  0.923152  0.386284  1
  P  P111  1  0.658943  0.147083  0.310885  1
  P  P112  1  0.954658  0.962289  0.289845  1
  P  P113  1  0.285564  0.853324  0.322993  1
  P  P114  1  0.610879  0.740096  0.361454  1
  P  P115  1  0.272163  0.186508  0.379883  1
  P  P116  1  0.617207  0.407355  0.307078  1
  P  P117  1  0.945984  0.293102  0.343694  1
  P  P118  1  0.076009  0.671245  0.302557  1
  P  P119  1  0.406289  0.557766  0.340561  1
  P  P120  1  0.732408  0.453382  0.376150  1
  P  P121  1  0.036741  0.435496  0.297655  1
  P  P122  1  0.364258  0.322982  0.334280  1
  P  P123  1  0.691354  0.214244  0.371876  1
  P  P124  1  0.281450  0.357317  0.323215  1
  P  P125  1  0.609227  0.244060  0.361461  1
  P  P126  1  0.955399  0.460969  0.287104  1
  P  P127  1  0.068166  0.506261  0.357831  1
  P  P128  1  0.413719  0.721715  0.285815  1
  P  P129  1  0.741882  0.620484  0.320185  1
  P  P130  1  0.947199  0.798194  0.343813  1
  P  P131  1  0.274863  0.689811  0.379471  1
  P  P132  1  0.619071  0.907221  0.305185  1
  P  P133  1  0.036019  0.935962  0.297705  1
  P  P134  1  0.366947  0.813621  0.337336  1
  P  P135  1  0.691744  0.714231  0.371930  1
  P  P136  1  0.071334  0.999730  0.357018  1
  P  P137  1  0.413593  0.223329  0.282975  1
  P  P138  1  0.745126  0.113794  0.317663  1
  P  P139  1  0.027192  0.276332  0.353781  1
  P  P140  1  0.374382  0.487533  0.280198  1
  P  P141  1  0.699434  0.394705  0.315896  1
  P  P142  1  0.028747  0.775645  0.354152  1
  P  P143  1  0.371533  0.978844  0.282062  1
  P  P144  1  0.701119  0.893982  0.315857  1
  P  P145  1  0.232199  0.952587  0.375307  1
  P  P146  1  0.576526  0.171187  0.302240  1
  P  P147  1  0.905345  0.062302  0.340177  1
  P  P148  1  0.151395  0.479972  0.366747  1
  P  P149  1  0.495402  0.698985  0.293477  1
  P  P150  1  0.825177  0.588840  0.329942  1
  P  P151  1  0.150795  0.979981  0.366928  1
  P  P152  1  0.495435  0.196437  0.293802  1
  P  P153  1  0.823221  0.098029  0.331035  1
  P  P154  1  0.156702  0.642729  0.308171  1
  P  P155  1  0.485444  0.528397  0.347745  1
  P  P156  1  0.812219  0.417575  0.384028  1
  P  P157  1  0.158943  0.147083  0.310885  1
  P  P158  1  0.488084  0.032027  0.349268  1
  P  P159  1  0.815133  0.923152  0.386284  1
  P  P160  1  0.110879  0.740096  0.361454  1
  P  P161  1  0.454658  0.962289  0.289845  1
  P  P162  1  0.785564  0.853324  0.322993  1
  P  P163  1  0.117207  0.407355  0.307078  1
  P  P164  1  0.445984  0.293102  0.343694  1
  P  P165  1  0.772163  0.186508  0.379883  1
  P  P166  1  0.232408  0.453382  0.376150  1
  P  P167  1  0.576009  0.671245  0.302557  1
  P  P168  1  0.906289  0.557766  0.340561  1
  P  P169  1  0.191354  0.214244  0.371876  1
  P  P170  1  0.536741  0.435496  0.297655  1
  P  P171  1  0.864258  0.322982  0.334280  1
  P  P172  1  0.109227  0.244060  0.361461  1
  P  P173  1  0.455399  0.460969  0.287104  1
  P  P174  1  0.781450  0.357317  0.323215  1
  P  P175  1  0.241882  0.620484  0.320185  1
  P  P176  1  0.568166  0.506261  0.357831  1
  P  P177  1  0.913719  0.721715  0.285815  1
  P  P178  1  0.119071  0.907221  0.305185  1
  P  P179  1  0.447199  0.798194  0.343813  1
  P  P180  1  0.774863  0.689811  0.379471  1
  P  P181  1  0.191744  0.714231  0.371930  1
  P  P182  1  0.536019  0.935962  0.297705  1
  P  P183  1  0.866947  0.813621  0.337336  1
  P  P184  1  0.245126  0.113794  0.317663  1
  P  P185  1  0.571334  0.999730  0.357018  1
  P  P186  1  0.913593  0.223329  0.282975  1
  P  P187  1  0.199434  0.394705  0.315896  1
  P  P188  1  0.527192  0.276332  0.353781  1
  P  P189  1  0.874382  0.487533  0.280198  1
  P  P190  1  0.201119  0.893982  0.315857  1
  P  P191  1  0.528747  0.775645  0.354152  1
  P  P192  1  0.871533  0.978844  0.282062  1
  P  P193  1  0.059432  0.840368  0.414178  1
  P  P194  1  0.387126  0.729122  0.451763  1
  P  P195  1  0.714382  0.618678  0.487964  1
  P  P196  1  0.978463  0.367278  0.405240  1
  P  P197  1  0.305975  0.256818  0.441910  1
  P  P198  1  0.633154  0.146084  0.479069  1
  P  P199  1  0.978158  0.866267  0.405362  1
  P  P200  1  0.305628  0.755885  0.441985  1
  P  P201  1  0.632866  0.645712  0.478854  1
  P  P202  1  0.967243  0.195842  0.459609  1
  P  P203  1  0.294604  0.085249  0.496055  1
  P  P204  1  0.639675  0.308976  0.421551  1
  P  P205  1  0.970394  0.700196  0.460068  1
  P  P206  1  0.297812  0.590134  0.496432  1
  P  P207  1  0.642767  0.814015  0.421909  1
  P  P208  1  0.938581  0.630199  0.399809  1
  P  P209  1  0.265906  0.520089  0.435884  1
  P  P210  1  0.593240  0.408119  0.473703  1
  P  P211  1  0.254598  0.853921  0.491673  1
  P  P212  1  0.599874  0.075919  0.417514  1
  P  P213  1  0.927188  0.963906  0.455576  1
  P  P214  1  0.059723  0.339006  0.414189  1
  P  P215  1  0.387302  0.228150  0.451611  1
  P  P216  1  0.714583  0.118145  0.487957  1
  P  P217  1  0.019054  0.102047  0.408566  1
  P  P218  1  0.346313  0.990828  0.445735  1
  P  P219  1  0.673753  0.880467  0.482041  1
  P  P220  1  0.263948  0.022658  0.435838  1
  P  P221  1  0.591472  0.910142  0.473444  1
  P  P222  1  0.936728  0.131198  0.399750  1
  P  P223  1  0.050155  0.173627  0.468873  1
  P  P224  1  0.395452  0.393921  0.394462  1
  P  P225  1  0.722997  0.287214  0.431051  1
  P  P226  1  0.928828  0.464594  0.455324  1
  P  P227  1  0.256492  0.354662  0.491744  1
  P  P228  1  0.601662  0.577269  0.417622  1
  P  P229  1  0.019448  0.601560  0.408649  1
  P  P230  1  0.346692  0.490213  0.445414  1
  P  P231  1  0.674232  0.380174  0.482266  1
  P  P232  1  0.053327  0.666706  0.469078  1
  P  P233  1  0.398423  0.890360  0.395112  1
  P  P234  1  0.726340  0.779784  0.430955  1
  P  P235  1  0.009102  0.944075  0.465812  1
  P  P236  1  0.354475  0.164092  0.391209  1
  P  P237  1  0.681838  0.056640  0.427934  1
  P  P238  1  0.010828  0.443255  0.465995  1
  P  P239  1  0.356316  0.663324  0.392112  1
  P  P240  1  0.683408  0.556243  0.428276  1
  P  P241  1  0.214382  0.618678  0.487964  1
  P  P242  1  0.559432  0.840368  0.414178  1
  P  P243  1  0.887126  0.729122  0.451763  1
  P  P244  1  0.133154  0.146084  0.479069  1
  P  P245  1  0.478463  0.367278  0.405240  1
  P  P246  1  0.805975  0.256818  0.441910  1
  P  P247  1  0.132866  0.645712  0.478854  1
  P  P248  1  0.478158  0.866267  0.405362  1
  P  P249  1  0.805628  0.755885  0.441985  1
  P  P250  1  0.139675  0.308976  0.421551  1
  P  P251  1  0.467243  0.195842  0.459609  1
  P  P252  1  0.794604  0.085249  0.496055  1
  P  P253  1  0.142767  0.814015  0.421909  1
  P  P254  1  0.470394  0.700196  0.460068  1
  P  P255  1  0.797812  0.590134  0.496432  1
  P  P256  1  0.093240  0.408119  0.473703  1
  P  P257  1  0.438581  0.630199  0.399809  1
  P  P258  1  0.765906  0.520089  0.435884  1
  P  P259  1  0.099874  0.075919  0.417514  1
  P  P260  1  0.427188  0.963906  0.455576  1
  P  P261  1  0.754598  0.853921  0.491673  1
  P  P262  1  0.214583  0.118145  0.487957  1
  P  P263  1  0.559723  0.339006  0.414189  1
  P  P264  1  0.887302  0.228150  0.451611  1
  P  P265  1  0.173753  0.880467  0.482041  1
  P  P266  1  0.519054  0.102047  0.408566  1
  P  P267  1  0.846313  0.990828  0.445735  1
  P  P268  1  0.091472  0.910142  0.473444  1
  P  P269  1  0.436728  0.131198  0.399750  1
  P  P270  1  0.763948  0.022658  0.435838  1
  P  P271  1  0.222997  0.287214  0.431051  1
  P  P272  1  0.550155  0.173627  0.468873  1
  P  P273  1  0.895452  0.393921  0.394462  1
  P  P274  1  0.101662  0.577269  0.417622  1
  P  P275  1  0.428828  0.464594  0.455324  1
  P  P276  1  0.756492  0.354662  0.491744  1
  P  P277  1  0.174232  0.380174  0.482266  1
  P  P278  1  0.519448  0.601560  0.408649  1
  P  P279  1  0.846692  0.490213  0.445414  1
  P  P280  1  0.226340  0.779784  0.430955  1
  P  P281  1  0.553327  0.666706  0.469078  1
  P  P282  1  0.898423  0.890360  0.395112  1
  P  P283  1  0.181838  0.056640  0.427934  1
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