# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81686539
_cell_length_b   29.85212281
_cell_length_c   52.86388085
_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   10757.6888852
_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  0.999991  0.180527  0.337153  1
  Fe  Fe2  1  0.999991  0.497471  0.297607  1
  Fe  Fe3  1  0.999991  0.811906  0.257211  1
  Fe  Fe4  1  0.499991  0.235344  0.266479  1
  Fe  Fe5  1  0.499991  0.603667  0.348124  1
  Fe  Fe6  1  0.499991  0.919161  0.306919  1
  Fe  Fe7  1  0.499991  0.338759  0.316326  1
  Fe  Fe8  1  0.499991  0.654533  0.277236  1
  Fe  Fe9  1  0.499991  0.022367  0.358731  1
  Fe  Fe10  1  0.999991  0.445210  0.368711  1
  Fe  Fe11  1  0.999991  0.761403  0.326365  1
  Fe  Fe12  1  0.999991  0.077235  0.287108  1
  Fe  Fe13  1  0.999991  0.231931  0.462802  1
  Fe  Fe14  1  0.999991  0.548034  0.421455  1
  Fe  Fe15  1  0.999991  0.864488  0.379443  1
  Fe  Fe16  1  0.499991  0.287552  0.389723  1
  Fe  Fe17  1  0.499991  0.655043  0.473134  1
  Fe  Fe18  1  0.499991  0.971167  0.431600  1
  Fe  Fe19  1  0.499991  0.389898  0.442037  1
  Fe  Fe20  1  0.499991  0.706353  0.400403  1
  Fe  Fe21  1  0.499991  0.073873  0.483829  1
  Fe  Fe22  1  0.999991  0.496864  0.493923  1
  Fe  Fe23  1  0.999991  0.813000  0.452308  1
  Fe  Fe24  1  0.999991  0.129447  0.410762  1
  Fe  Fe25  1  0.999991  0.283153  0.587899  1
  Fe  Fe26  1  0.999991  0.599600  0.546353  1
  Fe  Fe27  1  0.999991  0.915736  0.504738  1
  Fe  Fe28  1  0.499991  0.338727  0.514833  1
  Fe  Fe29  1  0.499991  0.706246  0.598258  1
  Fe  Fe30  1  0.499991  0.022702  0.556624  1
  Fe  Fe31  1  0.499991  0.441432  0.567061  1
  Fe  Fe32  1  0.499991  0.757557  0.525527  1
  Fe  Fe33  1  0.499991  0.125048  0.608938  1
  Fe  Fe34  1  0.999991  0.548111  0.619218  1
  Fe  Fe35  1  0.999991  0.864566  0.577207  1
  Fe  Fe36  1  0.999991  0.180668  0.535859  1
  Fe  Fe37  1  0.999991  0.335365  0.711553  1
  Fe  Fe38  1  0.999991  0.651196  0.672296  1
  Fe  Fe39  1  0.999991  0.967389  0.629950  1
  Fe  Fe40  1  0.499991  0.390233  0.639930  1
  Fe  Fe41  1  0.499991  0.758067  0.721425  1
  Fe  Fe42  1  0.499991  0.073841  0.682335  1
  Fe  Fe43  1  0.499991  0.493439  0.691743  1
  Fe  Fe44  1  0.499991  0.808932  0.650537  1
  Fe  Fe45  1  0.499991  0.177255  0.732182  1
  Fe  Fe46  1  0.999991  0.600693  0.741450  1
  Fe  Fe47  1  0.999991  0.915129  0.701054  1
  Fe  Fe48  1  0.999991  0.232072  0.661508  1
  P  P49  1  0.499991  0.366222  0.277919  1
  P  P50  1  0.499991  0.734679  0.362267  1
  P  P51  1  0.499991  0.050617  0.320447  1
  P  P52  1  0.256804  0.454530  0.301928  1
  P  P53  1  0.257119  0.769224  0.260060  1
  P  P54  1  0.255300  0.138110  0.343642  1
  P  P55  1  0.499991  0.232781  0.362380  1
  P  P56  1  0.499991  0.548295  0.320952  1
  P  P57  1  0.499991  0.866661  0.277397  1
  P  P58  1  0.255570  0.119539  0.279428  1
  P  P59  1  0.256723  0.487588  0.363558  1
  P  P60  1  0.255897  0.804435  0.321304  1
  P  P61  1  0.499991  0.206971  0.304095  1
  P  P62  1  0.499991  0.522570  0.262494  1
  P  P63  1  0.499991  0.891388  0.344948  1
  P  P64  1  0.499991  0.393222  0.344079  1
  P  P65  1  0.499991  0.710327  0.303504  1
  P  P66  1  0.499991  0.026772  0.261807  1
  P  P67  1  0.744413  0.119539  0.279428  1
  P  P68  1  0.743260  0.487588  0.363558  1
  P  P69  1  0.744086  0.804435  0.321304  1
  P  P70  1  0.743179  0.454530  0.301928  1
  P  P71  1  0.742864  0.769224  0.260060  1
  P  P72  1  0.744683  0.138110  0.343642  1
  P  P73  1  0.999991  0.207433  0.298505  1
  P  P74  1  0.999991  0.519712  0.258162  1
  P  P75  1  0.999991  0.892247  0.341071  1
  P  P76  1  0.757420  0.296701  0.322260  1
  P  P77  1  0.755390  0.611270  0.281090  1
  P  P78  1  0.755642  0.979874  0.364572  1
  P  P79  1  0.999991  0.390394  0.341174  1
  P  P80  1  0.999991  0.705558  0.299108  1
  P  P81  1  0.999991  0.025567  0.257634  1
  P  P82  1  0.754513  0.277730  0.259353  1
  P  P83  1  0.756738  0.646032  0.342767  1
  P  P84  1  0.754197  0.962517  0.300846  1
  P  P85  1  0.999991  0.366257  0.282204  1
  P  P86  1  0.999991  0.734184  0.364901  1
  P  P87  1  0.999991  0.048917  0.324798  1
  P  P88  1  0.999991  0.235198  0.364753  1
  P  P89  1  0.999991  0.552727  0.324230  1
  P  P90  1  0.999991  0.870873  0.280934  1
  P  P91  1  0.245470  0.277730  0.259353  1
  P  P92  1  0.243245  0.646032  0.342767  1
  P  P93  1  0.245786  0.962517  0.300846  1
  P  P94  1  0.242563  0.296701  0.322260  1
  P  P95  1  0.244593  0.611270  0.281090  1
  P  P96  1  0.244341  0.979874  0.364572  1
  P  P97  1  0.499991  0.417782  0.403788  1
  P  P98  1  0.499991  0.785613  0.487310  1
  P  P99  1  0.499991  0.101902  0.445590  1
  P  P100  1  0.256543  0.505716  0.426890  1
  P  P101  1  0.255820  0.822050  0.385122  1
  P  P102  1  0.256382  0.189695  0.468575  1
  P  P103  1  0.499991  0.283840  0.487445  1
  P  P104  1  0.499991  0.600122  0.445764  1
  P  P105  1  0.499991  0.916123  0.404303  1
  P  P106  1  0.256278  0.171662  0.404882  1
  P  P107  1  0.256468  0.539162  0.488369  1
  P  P108  1  0.256298  0.855325  0.446748  1
  P  P109  1  0.499991  0.259393  0.427928  1
  P  P110  1  0.499991  0.575665  0.386365  1
  P  P111  1  0.499991  0.943167  0.469816  1
  P  P112  1  0.499991  0.444824  0.469418  1
  P  P113  1  0.499991  0.761267  0.427792  1
  P  P114  1  0.499991  0.077240  0.386136  1
  P  P115  1  0.743705  0.171662  0.404882  1
  P  P116  1  0.743515  0.539162  0.488369  1
  P  P117  1  0.743685  0.855325  0.446748  1
  P  P118  1  0.743440  0.505716  0.426890  1
  P  P119  1  0.744163  0.822050  0.385122  1
  P  P120  1  0.743601  0.189695  0.468575  1
  P  P121  1  0.999991  0.259922  0.424531  1
  P  P122  1  0.999991  0.576064  0.383288  1
  P  P123  1  0.999991  0.943704  0.466501  1
  P  P124  1  0.756560  0.347671  0.447630  1
  P  P125  1  0.756708  0.664164  0.406027  1
  P  P126  1  0.756423  0.031607  0.489496  1
  P  P127  1  0.999991  0.441852  0.466598  1
  P  P128  1  0.999991  0.758212  0.424822  1
  P  P129  1  0.999991  0.074350  0.383545  1
  P  P130  1  0.756705  0.329604  0.383892  1
  P  P131  1  0.756435  0.697327  0.467530  1
  P  P132  1  0.756390  0.013435  0.425972  1
  P  P133  1  0.999991  0.417399  0.407026  1
  P  P134  1  0.999991  0.785079  0.490554  1
  P  P135  1  0.999991  0.101308  0.448945  1
  P  P136  1  0.999991  0.286737  0.490256  1
  P  P137  1  0.999991  0.603167  0.448659  1
  P  P138  1  0.999991  0.919124  0.407003  1
  P  P139  1  0.243278  0.329604  0.383892  1
  P  P140  1  0.243548  0.697327  0.467530  1
  P  P141  1  0.243593  0.013435  0.425972  1
  P  P142  1  0.243423  0.347671  0.447630  1
  P  P143  1  0.243275  0.664164  0.406027  1
  P  P144  1  0.243560  0.031607  0.489496  1
  P  P145  1  0.499991  0.469433  0.528846  1
  P  P146  1  0.499991  0.836934  0.612297  1
  P  P147  1  0.499991  0.153207  0.570733  1
  P  P148  1  0.256298  0.557274  0.551913  1
  P  P149  1  0.256468  0.873438  0.510293  1
  P  P150  1  0.256278  0.240938  0.593779  1
  P  P151  1  0.499991  0.335360  0.612525  1
  P  P152  1  0.499991  0.651333  0.570870  1
  P  P153  1  0.499991  0.967776  0.529244  1
  P  P154  1  0.256382  0.222905  0.530086  1
  P  P155  1  0.255820  0.590549  0.613540  1
  P  P156  1  0.256543  0.906883  0.571772  1
  P  P157  1  0.499991  0.310697  0.553072  1
  P  P158  1  0.499991  0.626987  0.511351  1
  P  P159  1  0.499991  0.994818  0.594873  1
  P  P160  1  0.499991  0.496476  0.594359  1
  P  P161  1  0.499991  0.812478  0.552897  1
  P  P162  1  0.499991  0.128760  0.511217  1
  P  P163  1  0.743601  0.222905  0.530086  1
  P  P164  1  0.744163  0.590549  0.613540  1
  P  P165  1  0.743440  0.906883  0.571772  1
  P  P166  1  0.743685  0.557274  0.551913  1
  P  P167  1  0.743515  0.873438  0.510293  1
  P  P168  1  0.743705  0.240938  0.593779  1
  P  P169  1  0.999991  0.311292  0.549717  1
  P  P170  1  0.999991  0.627521  0.508107  1
  P  P171  1  0.999991  0.995201  0.591636  1
  P  P172  1  0.756390  0.399165  0.572689  1
  P  P173  1  0.756435  0.715273  0.531131  1
  P  P174  1  0.756705  0.082995  0.614769  1
  P  P175  1  0.999991  0.493475  0.591659  1
  P  P176  1  0.999991  0.809432  0.550002  1
  P  P177  1  0.999991  0.125862  0.508406  1
  P  P178  1  0.756423  0.380992  0.509165  1
  P  P179  1  0.756708  0.748435  0.592634  1
  P  P180  1  0.756560  0.064928  0.551032  1
  P  P181  1  0.999991  0.468896  0.532161  1
  P  P182  1  0.999991  0.836536  0.615374  1
  P  P183  1  0.999991  0.152678  0.574130  1
  P  P184  1  0.999991  0.338250  0.615116  1
  P  P185  1  0.999991  0.654388  0.573839  1
  P  P186  1  0.999991  0.970748  0.532063  1
  P  P187  1  0.243560  0.380992  0.509165  1
  P  P188  1  0.243275  0.748435  0.592634  1
  P  P189  1  0.243423  0.064928  0.551032  1
  P  P190  1  0.243593  0.399165  0.572689  1
  P  P191  1  0.243548  0.715273  0.531131  1
  P  P192  1  0.243278  0.082995  0.614769  1
  P  P193  1  0.499991  0.521211  0.653714  1
  P  P194  1  0.499991  0.890030  0.736167  1
  P  P195  1  0.499991  0.205629  0.694567  1
  P  P196  1  0.255897  0.608165  0.677357  1
  P  P197  1  0.256723  0.925011  0.635103  1
  P  P198  1  0.255570  0.293061  0.719233  1
  P  P199  1  0.499991  0.385827  0.736854  1
  P  P200  1  0.499991  0.702272  0.695158  1
  P  P201  1  0.499991  0.019378  0.654582  1
  P  P202  1  0.255300  0.274490  0.655020  1
  P  P203  1  0.257119  0.643376  0.738601  1
  P  P204  1  0.256804  0.958070  0.696734  1
  P  P205  1  0.499991  0.361982  0.678215  1
  P  P206  1  0.499991  0.677920  0.636394  1
  P  P207  1  0.499991  0.046378  0.720743  1
  P  P208  1  0.499991  0.545939  0.721265  1
  P  P209  1  0.499991  0.864305  0.677709  1
  P  P210  1  0.499991  0.179819  0.636281  1
  P  P211  1  0.744683  0.274490  0.655020  1
  P  P212  1  0.742864  0.643376  0.738601  1
  P  P213  1  0.743179  0.958070  0.696734  1
  P  P214  1  0.744086  0.608165  0.677357  1
  P  P215  1  0.743260  0.925011  0.635103  1
  P  P216  1  0.744413  0.293061  0.719233  1
  P  P217  1  0.999991  0.363682  0.673863  1
  P  P218  1  0.999991  0.678416  0.633760  1
  P  P219  1  0.999991  0.046343  0.716458  1
  P  P220  1  0.754197  0.450083  0.697815  1
  P  P221  1  0.756738  0.766567  0.655894  1
  P  P222  1  0.754513  0.134869  0.739309  1
  P  P223  1  0.999991  0.541726  0.717728  1
  P  P224  1  0.999991  0.859873  0.674432  1
  P  P225  1  0.999991  0.177402  0.633908  1
  P  P226  1  0.755642  0.432726  0.634090  1
  P  P227  1  0.755390  0.801330  0.717571  1
  P  P228  1  0.757420  0.115898  0.676401  1
  P  P229  1  0.999991  0.520353  0.657590  1
  P  P230  1  0.999991  0.892887  0.740500  1
  P  P231  1  0.999991  0.205166  0.700157  1
  P  P232  1  0.999991  0.387033  0.741027  1
  P  P233  1  0.999991  0.707042  0.699553  1
  P  P234  1  0.999991  0.022205  0.657487  1
  P  P235  1  0.244341  0.432726  0.634090  1
  P  P236  1  0.244593  0.801330  0.717571  1
  P  P237  1  0.242563  0.115898  0.676401  1
  P  P238  1  0.245786  0.450083  0.697815  1
  P  P239  1  0.243245  0.766567  0.655894  1
  P  P240  1  0.245470  0.134869  0.739309  1
