# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.32916334
_cell_length_b   31.26332270
_cell_length_c   52.14621387
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.07584840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe144 P576'
_cell_volume   38634.5528431
_cell_formula_units_Z   144
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  0.838892  0.433988  0.496180  1
  Fe  Fe2  1  0.505558  0.100654  0.496180  1
  Fe  Fe3  1  0.331303  0.527131  0.362664  1
  Fe  Fe4  1  0.084021  0.480544  0.428750  1
  Fe  Fe5  1  0.172225  0.767321  0.496180  1
  Fe  Fe6  1  0.997969  0.193798  0.362664  1
  Fe  Fe7  1  0.750688  0.147211  0.428750  1
  Fe  Fe8  1  0.664636  0.860465  0.362664  1
  Fe  Fe9  1  0.417354  0.813878  0.428750  1
  Fe  Fe10  1  0.427473  0.726890  0.323389  1
  Fe  Fe11  1  0.094139  0.393557  0.323389  1
  Fe  Fe12  1  0.185218  0.680116  0.378712  1
  Fe  Fe13  1  0.940334  0.634489  0.447091  1
  Fe  Fe14  1  0.760806  0.060223  0.323389  1
  Fe  Fe15  1  0.851885  0.346783  0.378712  1
  Fe  Fe16  1  0.607001  0.301156  0.447091  1
  Fe  Fe17  1  0.518551  0.013449  0.378712  1
  Fe  Fe18  1  0.273667  0.967822  0.447091  1
  Fe  Fe19  1  0.844421  0.395751  0.442558  1
  Fe  Fe20  1  0.511088  0.062417  0.442558  1
  Fe  Fe21  1  0.343275  0.489702  0.315135  1
  Fe  Fe22  1  0.088641  0.440610  0.372667  1
  Fe  Fe23  1  0.177755  0.729084  0.442558  1
  Fe  Fe24  1  0.009942  0.156369  0.315135  1
  Fe  Fe25  1  0.755307  0.107277  0.372667  1
  Fe  Fe26  1  0.676608  0.823035  0.315135  1
  Fe  Fe27  1  0.421974  0.773943  0.372667  1
  Fe  Fe28  1  0.493083  0.662787  0.314811  1
  Fe  Fe29  1  0.159750  0.329454  0.314811  1
  Fe  Fe30  1  0.250120  0.608387  0.372172  1
  Fe  Fe31  1  0.006929  0.564116  0.440076  1
  Fe  Fe32  1  0.826416  0.996120  0.314811  1
  Fe  Fe33  1  0.916787  0.275054  0.372172  1
  Fe  Fe34  1  0.673595  0.230783  0.440076  1
  Fe  Fe35  1  0.583453  0.941721  0.372172  1
  Fe  Fe36  1  0.340262  0.897449  0.440076  1
  Fe  Fe37  1  0.584021  0.480544  0.428750  1
  Fe  Fe38  1  0.250688  0.147211  0.428750  1
  Fe  Fe39  1  0.338892  0.433988  0.496180  1
  Fe  Fe40  1  0.831303  0.527131  0.362664  1
  Fe  Fe41  1  0.917354  0.813878  0.428750  1
  Fe  Fe42  1  0.005558  0.100654  0.496180  1
  Fe  Fe43  1  0.497969  0.193798  0.362664  1
  Fe  Fe44  1  0.672225  0.767321  0.496180  1
  Fe  Fe45  1  0.164636  0.860465  0.362664  1
  Fe  Fe46  1  0.685218  0.680116  0.378712  1
  Fe  Fe47  1  0.351885  0.346783  0.378712  1
  Fe  Fe48  1  0.440334  0.634489  0.447091  1
  Fe  Fe49  1  0.927473  0.726890  0.323389  1
  Fe  Fe50  1  0.018551  0.013449  0.378712  1
  Fe  Fe51  1  0.107001  0.301156  0.447091  1
  Fe  Fe52  1  0.594139  0.393557  0.323389  1
  Fe  Fe53  1  0.773667  0.967822  0.447091  1
  Fe  Fe54  1  0.260806  0.060223  0.323389  1
  Fe  Fe55  1  0.588641  0.440610  0.372667  1
  Fe  Fe56  1  0.255307  0.107277  0.372667  1
  Fe  Fe57  1  0.344421  0.395751  0.442558  1
  Fe  Fe58  1  0.843275  0.489702  0.315135  1
  Fe  Fe59  1  0.921974  0.773943  0.372667  1
  Fe  Fe60  1  0.011088  0.062417  0.442558  1
  Fe  Fe61  1  0.509942  0.156369  0.315135  1
  Fe  Fe62  1  0.677755  0.729084  0.442558  1
  Fe  Fe63  1  0.176608  0.823035  0.315135  1
  Fe  Fe64  1  0.750120  0.608387  0.372172  1
  Fe  Fe65  1  0.416787  0.275054  0.372172  1
  Fe  Fe66  1  0.506929  0.564116  0.440076  1
  Fe  Fe67  1  0.993083  0.662787  0.314811  1
  Fe  Fe68  1  0.083453  0.941721  0.372172  1
  Fe  Fe69  1  0.173595  0.230783  0.440076  1
  Fe  Fe70  1  0.659750  0.329454  0.314811  1
  Fe  Fe71  1  0.840262  0.897449  0.440076  1
  Fe  Fe72  1  0.326416  0.996120  0.314811  1
  Fe  Fe73  1  0.099295  0.296665  0.689532  1
  Fe  Fe74  1  0.765962  0.963331  0.689532  1
  Fe  Fe75  1  0.594210  0.387579  0.563102  1
  Fe  Fe76  1  0.350468  0.341870  0.630593  1
  Fe  Fe77  1  0.432629  0.629998  0.689532  1
  Fe  Fe78  1  0.260877  0.054246  0.563102  1
  Fe  Fe79  1  0.017135  0.008536  0.630593  1
  Fe  Fe80  1  0.927544  0.720912  0.563102  1
  Fe  Fe81  1  0.683801  0.675203  0.630593  1
  Fe  Fe82  1  0.696018  0.588374  0.513914  1
  Fe  Fe83  1  0.362685  0.255041  0.513914  1
  Fe  Fe84  1  0.450914  0.541976  0.581384  1
  Fe  Fe85  1  0.206285  0.496752  0.648301  1
  Fe  Fe86  1  0.029351  0.921707  0.513914  1
  Fe  Fe87  1  0.117581  0.208643  0.581384  1
  Fe  Fe88  1  0.872952  0.163419  0.648301  1
  Fe  Fe89  1  0.784247  0.875309  0.581384  1
  Fe  Fe90  1  0.539618  0.830085  0.648301  1
  Fe  Fe91  1  0.108036  0.255375  0.641849  1
  Fe  Fe92  1  0.774703  0.922042  0.641849  1
  Fe  Fe93  1  0.599635  0.349712  0.509744  1
  Fe  Fe94  1  0.355104  0.303351  0.576803  1
  Fe  Fe95  1  0.441369  0.588709  0.641849  1
  Fe  Fe96  1  0.266301  0.016379  0.509744  1
  Fe  Fe97  1  0.021771  0.970018  0.576803  1
  Fe  Fe98  1  0.932968  0.683045  0.509744  1
  Fe  Fe99  1  0.688438  0.636685  0.576803  1
  Fe  Fe100  1  0.762257  0.518083  0.506684  1
  Fe  Fe101  1  0.428924  0.184750  0.506684  1
  Fe  Fe102  1  0.517271  0.471816  0.574004  1
  Fe  Fe103  1  0.272507  0.426924  0.640350  1
  Fe  Fe104  1  0.095590  0.851416  0.506684  1
  Fe  Fe105  1  0.183938  0.138482  0.574004  1
  Fe  Fe106  1  0.939174  0.093591  0.640350  1
  Fe  Fe107  1  0.850604  0.805149  0.574004  1
  Fe  Fe108  1  0.605840  0.760257  0.640350  1
  Fe  Fe109  1  0.850468  0.341870  0.630593  1
  Fe  Fe110  1  0.517135  0.008536  0.630593  1
  Fe  Fe111  1  0.599295  0.296665  0.689532  1
  Fe  Fe112  1  0.094210  0.387579  0.563102  1
  Fe  Fe113  1  0.183801  0.675203  0.630593  1
  Fe  Fe114  1  0.265962  0.963331  0.689532  1
  Fe  Fe115  1  0.760877  0.054246  0.563102  1
  Fe  Fe116  1  0.932629  0.629998  0.689532  1
  Fe  Fe117  1  0.427544  0.720912  0.563102  1
  Fe  Fe118  1  0.950914  0.541976  0.581384  1
  Fe  Fe119  1  0.617581  0.208643  0.581384  1
  Fe  Fe120  1  0.706285  0.496752  0.648301  1
  Fe  Fe121  1  0.196018  0.588374  0.513914  1
  Fe  Fe122  1  0.284247  0.875309  0.581384  1
  Fe  Fe123  1  0.372952  0.163419  0.648301  1
  Fe  Fe124  1  0.862685  0.255041  0.513914  1
  Fe  Fe125  1  0.039618  0.830085  0.648301  1
  Fe  Fe126  1  0.529351  0.921707  0.513914  1
  Fe  Fe127  1  0.855104  0.303351  0.576803  1
  Fe  Fe128  1  0.521771  0.970018  0.576803  1
  Fe  Fe129  1  0.608036  0.255375  0.641849  1
  Fe  Fe130  1  0.099635  0.349712  0.509744  1
  Fe  Fe131  1  0.188438  0.636685  0.576803  1
  Fe  Fe132  1  0.274703  0.922042  0.641849  1
  Fe  Fe133  1  0.766301  0.016379  0.509744  1
  Fe  Fe134  1  0.941369  0.588709  0.641849  1
  Fe  Fe135  1  0.432968  0.683045  0.509744  1
  Fe  Fe136  1  0.017271  0.471816  0.574004  1
  Fe  Fe137  1  0.683938  0.138482  0.574004  1
  Fe  Fe138  1  0.772507  0.426924  0.640350  1
  Fe  Fe139  1  0.262257  0.518083  0.506684  1
  Fe  Fe140  1  0.350604  0.805149  0.574004  1
  Fe  Fe141  1  0.439174  0.093591  0.640350  1
  Fe  Fe142  1  0.928924  0.184750  0.506684  1
  Fe  Fe143  1  0.105840  0.760257  0.640350  1
  Fe  Fe144  1  0.595590  0.851416  0.506684  1
  P  P145  1  0.429759  0.478806  0.313522  1
  P  P146  1  0.096426  0.145473  0.313522  1
  P  P147  1  0.181948  0.434918  0.381247  1
  P  P148  1  0.937461  0.388717  0.448386  1
  P  P149  1  0.763092  0.812140  0.313522  1
  P  P150  1  0.848615  0.101585  0.381247  1
  P  P151  1  0.604127  0.055383  0.448386  1
  P  P152  1  0.515282  0.768251  0.381247  1
  P  P153  1  0.270794  0.722050  0.448386  1
  P  P154  1  0.793006  0.543236  0.465199  1
  P  P155  1  0.459673  0.209902  0.465199  1
  P  P156  1  0.284333  0.633818  0.331650  1
  P  P157  1  0.038736  0.589454  0.398971  1
  P  P158  1  0.126340  0.876569  0.465199  1
  P  P159  1  0.950999  0.300484  0.331650  1
  P  P160  1  0.705403  0.256120  0.398971  1
  P  P161  1  0.617666  0.967151  0.331650  1
  P  P162  1  0.372069  0.922787  0.398971  1
  P  P163  1  0.626006  0.376809  0.465270  1
  P  P164  1  0.292672  0.043476  0.465270  1
  P  P165  1  0.112833  0.472462  0.329698  1
  P  P166  1  0.871297  0.422106  0.397895  1
  P  P167  1  0.959339  0.710143  0.465270  1
  P  P168  1  0.779500  0.139128  0.329698  1
  P  P169  1  0.537963  0.088772  0.397895  1
  P  P170  1  0.446166  0.805795  0.329698  1
  P  P171  1  0.204630  0.755439  0.397895  1
  P  P172  1  0.668630  0.518422  0.496473  1
  P  P173  1  0.335297  0.185089  0.496473  1
  P  P174  1  0.156252  0.610339  0.362778  1
  P  P175  1  0.913361  0.564817  0.429819  1
  P  P176  1  0.001964  0.851755  0.496473  1
  P  P177  1  0.822919  0.277005  0.362778  1
  P  P178  1  0.580028  0.231483  0.429819  1
  P  P179  1  0.489586  0.943672  0.362778  1
  P  P180  1  0.246695  0.898150  0.429819  1
  P  P181  1  0.751420  0.399116  0.431688  1
  P  P182  1  0.418087  0.065782  0.431688  1
  P  P183  1  0.506315  0.352718  0.498463  1
  P  P184  1  0.993579  0.444740  0.364130  1
  P  P185  1  0.084754  0.732449  0.431688  1
  P  P186  1  0.172981  0.019384  0.498463  1
  P  P187  1  0.660246  0.111406  0.364130  1
  P  P188  1  0.839648  0.686051  0.498463  1
  P  P189  1  0.326913  0.778073  0.364130  1
  P  P190  1  0.844443  0.642883  0.439831  1
  P  P191  1  0.511110  0.309550  0.439831  1
  P  P192  1  0.342650  0.731933  0.306414  1
  P  P193  1  0.089099  0.689212  0.373416  1
  P  P194  1  0.177777  0.976217  0.439831  1
  P  P195  1  0.009316  0.398600  0.306414  1
  P  P196  1  0.755766  0.355879  0.373416  1
  P  P197  1  0.675983  0.065267  0.306414  1
  P  P198  1  0.422433  0.022546  0.373416  1
  P  P199  1  0.798589  0.499444  0.404884  1
  P  P200  1  0.465255  0.166110  0.404884  1
  P  P201  1  0.553953  0.454304  0.472284  1
  P  P202  1  0.040089  0.548126  0.337914  1
  P  P203  1  0.131922  0.832777  0.404884  1
  P  P204  1  0.220620  0.120970  0.472284  1
  P  P205  1  0.706755  0.214793  0.337914  1
  P  P206  1  0.887286  0.787637  0.472284  1
  P  P207  1  0.373422  0.881459  0.337914  1
  P  P208  1  0.586442  0.650775  0.314111  1
  P  P209  1  0.253109  0.317442  0.314111  1
  P  P210  1  0.347677  0.599291  0.381583  1
  P  P211  1  0.104613  0.554907  0.448125  1
  P  P212  1  0.919776  0.984109  0.314111  1
  P  P213  1  0.014344  0.265958  0.381583  1
  P  P214  1  0.771279  0.221574  0.448125  1
  P  P215  1  0.681010  0.932625  0.381583  1
  P  P216  1  0.437946  0.888240  0.448125  1
  P  P217  1  0.743496  0.441430  0.489317  1
  P  P218  1  0.410163  0.108097  0.489317  1
  P  P219  1  0.233357  0.532208  0.353437  1
  P  P220  1  0.988423  0.487411  0.422487  1
  P  P221  1  0.076829  0.774764  0.489317  1
  P  P222  1  0.900024  0.198875  0.353437  1
  P  P223  1  0.655090  0.154078  0.422487  1
  P  P224  1  0.566691  0.865541  0.353437  1
  P  P225  1  0.321757  0.820744  0.422487  1
  P  P226  1  0.677033  0.476910  0.438775  1
  P  P227  1  0.343699  0.143577  0.438775  1
  P  P228  1  0.164918  0.575358  0.307429  1
  P  P229  1  0.924305  0.523183  0.373332  1
  P  P230  1  0.010366  0.810243  0.438775  1
  P  P231  1  0.831585  0.242024  0.307429  1
  P  P232  1  0.590971  0.189850  0.373332  1
  P  P233  1  0.498251  0.908691  0.307429  1
  P  P234  1  0.257638  0.856516  0.373332  1
  P  P235  1  0.470194  0.623571  0.349586  1
  P  P236  1  0.136861  0.290238  0.349586  1
  P  P237  1  0.226067  0.576454  0.412769  1
  P  P238  1  0.982885  0.531839  0.480583  1
  P  P239  1  0.803528  0.956905  0.349586  1
  P  P240  1  0.892734  0.243120  0.412769  1
  P  P241  1  0.649551  0.198505  0.480583  1
  P  P242  1  0.559400  0.909787  0.412769  1
  P  P243  1  0.316218  0.865172  0.480583  1
  P  P244  1  0.722570  0.620154  0.473023  1
  P  P245  1  0.389237  0.286821  0.473023  1
  P  P246  1  0.212030  0.709622  0.337649  1
  P  P247  1  0.967890  0.667011  0.407092  1
  P  P248  1  0.055903  0.953487  0.473023  1
  P  P249  1  0.878697  0.376288  0.337649  1
  P  P250  1  0.634557  0.333677  0.407092  1
  P  P251  1  0.545364  0.042955  0.337649  1
  P  P252  1  0.301224  1.000344  0.407092  1
  P  P253  1  0.910579  0.608117  0.489590  1
  P  P254  1  0.577246  0.274784  0.489590  1
  P  P255  1  0.395454  0.697739  0.359966  1
  P  P256  1  0.155536  0.654282  0.422509  1
  P  P257  1  0.243912  0.941451  0.489590  1
  P  P258  1  0.062121  0.364406  0.359966  1
  P  P259  1  0.822203  0.320948  0.422509  1
  P  P260  1  0.728787  0.031073  0.359966  1
  P  P261  1  0.488869  0.987615  0.422509  1
  P  P262  1  0.816918  0.361729  0.482357  1
  P  P263  1  0.483585  0.028396  0.482357  1
  P  P264  1  0.307221  0.451939  0.348860  1
  P  P265  1  0.060914  0.409067  0.415256  1
  P  P266  1  0.150252  0.695062  0.482357  1
  P  P267  1  0.973887  0.118605  0.348860  1
  P  P268  1  0.727581  0.075734  0.415256  1
  P  P269  1  0.640554  0.785272  0.348860  1
  P  P270  1  0.394247  0.742400  0.415256  1
  P  P271  1  0.866720  0.468798  0.456431  1
  P  P272  1  0.533386  0.135465  0.456431  1
  P  P273  1  0.361123  0.562210  0.321273  1
  P  P274  1  0.109779  0.513732  0.388314  1
  P  P275  1  0.200053  0.802132  0.456431  1
  P  P276  1  0.027790  0.228877  0.321273  1
  P  P277  1  0.776445  0.180398  0.388314  1
  P  P278  1  0.694456  0.895544  0.321273  1
  P  P279  1  0.443112  0.847065  0.388314  1
  P  P280  1  0.524120  0.734898  0.321563  1
  P  P281  1  0.190787  0.401565  0.321563  1
  P  P282  1  0.276983  0.679715  0.390707  1
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