# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   32.51193894
_cell_length_b   15.52861776
_cell_length_c   46.34394122
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.69236097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe96 P384'
_cell_volume   23255.814982
_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  0.713790  0.162741  0.354216  1
  Fe  Fe2  1  0.213790  0.662741  0.354216  1
  Fe  Fe3  1  0.214889  0.273934  0.307276  1
  Fe  Fe4  1  0.714889  0.773934  0.307276  1
  Fe  Fe5  1  0.482083  0.262104  0.287474  1
  Fe  Fe6  1  0.982083  0.762104  0.287474  1
  Fe  Fe7  1  0.967489  0.172982  0.338052  1
  Fe  Fe8  1  0.467489  0.672982  0.338052  1
  Fe  Fe9  1  0.877031  0.991762  0.304601  1
  Fe  Fe10  1  0.377031  0.491762  0.304601  1
  Fe  Fe11  1  0.369497  0.892082  0.350922  1
  Fe  Fe12  1  0.869497  0.392082  0.350922  1
  Fe  Fe13  1  0.628675  0.986327  0.318607  1
  Fe  Fe14  1  0.128675  0.486327  0.318607  1
  Fe  Fe15  1  0.110694  0.884158  0.372316  1
  Fe  Fe16  1  0.610694  0.384158  0.372316  1
  Fe  Fe17  1  0.796974  0.079393  0.328728  1
  Fe  Fe18  1  0.296974  0.579393  0.328728  1
  Fe  Fe19  1  0.278594  0.983369  0.385189  1
  Fe  Fe20  1  0.778594  0.483369  0.385189  1
  Fe  Fe21  1  0.530749  0.728051  0.380062  1
  Fe  Fe22  1  0.030749  0.228051  0.380062  1
  Fe  Fe23  1  0.045640  0.828885  0.328918  1
  Fe  Fe24  1  0.545640  0.328885  0.328918  1
  Fe  Fe25  1  0.682858  0.974769  0.470687  1
  Fe  Fe26  1  0.182858  0.474769  0.470687  1
  Fe  Fe27  1  0.199466  0.065020  0.412017  1
  Fe  Fe28  1  0.699466  0.565020  0.412017  1
  Fe  Fe29  1  0.453142  0.075543  0.391047  1
  Fe  Fe30  1  0.953142  0.575543  0.391047  1
  Fe  Fe31  1  0.941906  0.976174  0.448338  1
  Fe  Fe32  1  0.441906  0.476174  0.448338  1
  Fe  Fe33  1  0.854967  0.795305  0.408271  1
  Fe  Fe34  1  0.354967  0.295305  0.408271  1
  Fe  Fe35  1  0.342602  0.695671  0.464489  1
  Fe  Fe36  1  0.842602  0.195671  0.464489  1
  Fe  Fe37  1  0.602444  0.791514  0.431192  1
  Fe  Fe38  1  0.102444  0.291514  0.431192  1
  Fe  Fe39  1  0.089961  0.694427  0.490263  1
  Fe  Fe40  1  0.589961  0.194427  0.490263  1
  Fe  Fe41  1  0.774199  0.875121  0.437531  1
  Fe  Fe42  1  0.274199  0.375121  0.437531  1
  Fe  Fe43  1  0.262737  0.776063  0.493181  1
  Fe  Fe44  1  0.762737  0.276063  0.493181  1
  Fe  Fe45  1  0.506153  0.527933  0.491838  1
  Fe  Fe46  1  0.006153  0.027933  0.491838  1
  Fe  Fe47  1  0.017234  0.627198  0.436644  1
  Fe  Fe48  1  0.517234  0.127198  0.436644  1
  Fe  Fe49  1  0.657498  0.779391  0.583638  1
  Fe  Fe50  1  0.157498  0.279391  0.583638  1
  Fe  Fe51  1  0.170504  0.876520  0.528585  1
  Fe  Fe52  1  0.670504  0.376520  0.528585  1
  Fe  Fe53  1  0.429721  0.876391  0.503057  1
  Fe  Fe54  1  0.929721  0.376391  0.503057  1
  Fe  Fe55  1  0.914565  0.773779  0.556533  1
  Fe  Fe56  1  0.414565  0.273779  0.556533  1
  Fe  Fe57  1  0.830066  0.595979  0.520275  1
  Fe  Fe58  1  0.330066  0.095979  0.520275  1
  Fe  Fe59  1  0.318908  0.499952  0.576507  1
  Fe  Fe60  1  0.818908  0.999952  0.576507  1
  Fe  Fe61  1  0.578322  0.596009  0.545678  1
  Fe  Fe62  1  0.078322  0.096009  0.545678  1
  Fe  Fe63  1  0.065637  0.495113  0.602201  1
  Fe  Fe64  1  0.565637  0.995113  0.602201  1
  Fe  Fe65  1  0.750103  0.679683  0.547010  1
  Fe  Fe66  1  0.250103  0.179683  0.547010  1
  Fe  Fe67  1  0.238774  0.578840  0.605511  1
  Fe  Fe68  1  0.738774  0.078840  0.605511  1
  Fe  Fe69  1  0.486389  0.334120  0.611836  1
  Fe  Fe70  1  0.986389  0.834120  0.611836  1
  Fe  Fe71  1  0.994018  0.429734  0.546903  1
  Fe  Fe72  1  0.494018  0.929734  0.546903  1
  Fe  Fe73  1  0.640557  0.567884  0.685254  1
  Fe  Fe74  1  0.140557  0.067884  0.685254  1
  Fe  Fe75  1  0.147664  0.672367  0.639970  1
  Fe  Fe76  1  0.647664  0.172367  0.639970  1
  Fe  Fe77  1  0.406174  0.678687  0.617191  1
  Fe  Fe78  1  0.906174  0.178687  0.617191  1
  Fe  Fe79  1  0.888468  0.578092  0.671848  1
  Fe  Fe80  1  0.388468  0.078092  0.671848  1
  Fe  Fe81  1  0.803802  0.400448  0.635814  1
  Fe  Fe82  1  0.303802  0.900448  0.635814  1
  Fe  Fe83  1  0.292353  0.295747  0.683705  1
  Fe  Fe84  1  0.792353  0.795747  0.683705  1
  Fe  Fe85  1  0.549453  0.388164  0.653020  1
  Fe  Fe86  1  0.049453  0.888164  0.653020  1
  Fe  Fe87  1  0.035139  0.298517  0.702557  1
  Fe  Fe88  1  0.535139  0.798517  0.702557  1
  Fe  Fe89  1  0.720457  0.481410  0.661882  1
  Fe  Fe90  1  0.220457  0.981410  0.661882  1
  Fe  Fe91  1  0.213415  0.382653  0.707678  1
  Fe  Fe92  1  0.713415  0.882653  0.707678  1
  Fe  Fe93  1  0.452238  0.126270  0.708771  1
  Fe  Fe94  1  0.952238  0.626270  0.708771  1
  Fe  Fe95  1  0.971974  0.233841  0.661903  1
  Fe  Fe96  1  0.471974  0.733841  0.661903  1
  P  P97  1  0.680502  0.351181  0.285728  1
  P  P98  1  0.180502  0.851181  0.285728  1
  P  P99  1  0.165269  0.239685  0.336838  1
  P  P100  1  0.665269  0.739685  0.336838  1
  P  P101  1  0.415679  0.126106  0.346090  1
  P  P102  1  0.915679  0.626106  0.346090  1
  P  P103  1  0.930191  0.222334  0.293590  1
  P  P104  1  0.430191  0.722334  0.293590  1
  P  P105  1  0.909758  0.825773  0.373417  1
  P  P106  1  0.409758  0.325773  0.373417  1
  P  P107  1  0.423445  0.928540  0.319453  1
  P  P108  1  0.923445  0.428540  0.319453  1
  P  P109  1  0.663298  0.936287  0.361775  1
  P  P110  1  0.163298  0.436287  0.361775  1
  P  P111  1  0.178568  0.043930  0.311157  1
  P  P112  1  0.678568  0.543930  0.311157  1
  P  P113  1  0.675522  0.099901  0.316256  1
  P  P114  1  0.175522  0.599901  0.316256  1
  P  P115  1  0.158884  1.000730  0.376458  1
  P  P116  1  0.658884  0.500730  0.376458  1
  P  P117  1  0.913444  0.256256  0.361844  1
  P  P118  1  0.413444  0.756256  0.361844  1
  P  P119  1  0.424663  0.358407  0.302579  1
  P  P120  1  0.924663  0.858407  0.302579  1
  P  P121  1  0.502589  0.203975  0.328263  1
  P  P122  1  0.002589  0.703975  0.328263  1
  P  P123  1  0.988448  0.108732  0.381754  1
  P  P124  1  0.488448  0.608732  0.381754  1
  P  P125  1  0.755510  0.215498  0.316108  1
  P  P126  1  0.255510  0.715498  0.316108  1
  P  P127  1  0.238611  0.117352  0.372103  1
  P  P128  1  0.738611  0.617352  0.372103  1
  P  P129  1  0.598885  0.046417  0.273683  1
  P  P130  1  0.098885  0.546417  0.273683  1
  P  P131  1  0.092227  0.945557  0.325414  1
  P  P132  1  0.592227  0.445557  0.325414  1
  P  P133  1  0.837784  0.937971  0.336973  1
  P  P134  1  0.337784  0.437971  0.336973  1
  P  P135  1  0.353325  0.043537  0.281611  1
  P  P136  1  0.853325  0.543537  0.281611  1
  P  P137  1  0.588357  0.873200  0.313819  1
  P  P138  1  0.088357  0.373200  0.313819  1
  P  P139  1  0.073576  0.767375  0.373912  1
  P  P140  1  0.573576  0.267375  0.373912  1
  P  P141  1  0.843615  0.117943  0.288572  1
  P  P142  1  0.343615  0.617943  0.288572  1
  P  P143  1  0.326739  0.024545  0.345642  1
  P  P144  1  0.826739  0.524545  0.345642  1
  P  P145  1  0.518452  0.380632  0.280803  1
  P  P146  1  0.018452  0.880632  0.280803  1
  P  P147  1  0.006687  0.289730  0.334001  1
  P  P148  1  0.506687  0.789730  0.334001  1
  P  P149  1  0.749581  0.034158  0.364003  1
  P  P150  1  0.249581  0.534158  0.364003  1
  P  P151  1  0.259326  0.152315  0.302456  1
  P  P152  1  0.759326  0.652315  0.302456  1
  P  P153  1  0.508086  0.011588  0.298057  1
  P  P154  1  0.008086  0.511588  0.298057  1
  P  P155  1  0.995243  0.911230  0.352194  1
  P  P156  1  0.495243  0.411230  0.352194  1
  P  P157  1  0.762461  1.006487  0.291576  1
  P  P158  1  0.262461  0.506487  0.291576  1
  P  P159  1  0.246346  0.910182  0.348120  1
  P  P160  1  0.746346  0.410182  0.348120  1
  P  P161  1  0.596778  0.243081  0.302262  1
  P  P162  1  0.096778  0.743081  0.302262  1
  P  P163  1  0.083252  0.144036  0.357725  1
  P  P164  1  0.583252  0.644036  0.357725  1
  P  P165  1  0.832609  0.147879  0.362179  1
  P  P166  1  0.332609  0.647879  0.362179  1
  P  P167  1  0.345180  0.244371  0.306869  1
  P  P168  1  0.845180  0.744371  0.306869  1
  P  P169  1  0.754875  0.841857  0.335947  1
  P  P170  1  0.254875  0.341857  0.335947  1
  P  P171  1  0.266671  0.948307  0.282969  1
  P  P172  1  0.766671  0.448307  0.282969  1
  P  P173  1  0.499437  0.987607  0.365949  1
  P  P174  1  -0.000563  0.487607  0.365949  1
  P  P175  1  0.012428  0.082750  0.310564  1
  P  P176  1  0.512428  0.582750  0.310564  1
  P  P177  1  0.837958  0.323325  0.315943  1
  P  P178  1  0.337958  0.823325  0.315943  1
  P  P179  1  0.322590  0.221974  0.374226  1
  P  P180  1  0.822590  0.721974  0.374226  1
  P  P181  1  0.581863  0.072972  0.344211  1
  P  P182  1  0.081863  0.572972  0.344211  1
  P  P183  1  0.095918  0.170365  0.291139  1
  P  P184  1  0.595918  0.670365  0.291139  1
  P  P185  1  0.679461  0.896440  0.287103  1
  P  P186  1  0.179461  0.396440  0.287103  1
  P  P187  1  0.165834  0.798483  0.348729  1
  P  P188  1  0.665834  0.298483  0.348729  1
  P  P189  1  0.435496  0.158971  0.275672  1
  P  P190  1  0.935496  0.658971  0.275672  1
  P  P191  1  0.919603  0.054256  0.334328  1
  P  P192  1  0.419603  0.554256  0.334328  1
  P  P193  1  0.658026  0.131366  0.389082  1
  P  P194  1  0.158026  0.631366  0.389082  1
  P  P195  1  0.144431  0.036163  0.447013  1
  P  P196  1  0.644431  0.536163  0.447013  1
  P  P197  1  0.391192  0.927195  0.459263  1
  P  P198  1  0.891192  0.427195  0.459263  1
  P  P199  1  0.903555  0.025932  0.403477  1
  P  P200  1  0.403555  0.525932  0.403477  1
  P  P201  1  0.885422  0.626488  0.487190  1
  P  P202  1  0.385422  0.126488  0.487190  1
  P  P203  1  0.397483  0.727028  0.430512  1
  P  P204  1  0.897483  0.227028  0.430512  1
  P  P205  1  0.636921  0.738527  0.474898  1
  P  P206  1  0.136921  0.238527  0.474898  1
  P  P207  1  0.147245  0.833070  0.418526  1
  P  P208  1  0.647245  0.333070  0.418526  1
  P  P209  1  0.647528  0.910065  0.431531  1
  P  P210  1  0.147528  0.410065  0.431531  1
  P  P211  1  0.135049  0.812454  0.489197  1
  P  P212  1  0.635049  0.312454  0.489197  1
  P  P213  1  0.887670  0.054597  0.473592  1
  P  P214  1  0.387670  0.554597  0.473592  1
  P  P215  1  0.399278  0.154984  0.417341  1
  P  P216  1  0.899278  0.654984  0.417341  1
  P  P217  1  0.475299  0.010035  0.436646  1
  P  P218  1  0.975299  0.510035  0.436646  1
  P  P219  1  0.964283  0.909839  0.493535  1
  P  P220  1  0.464283  0.409839  0.493535  1
  P  P221  1  0.728508  0.017553  0.431806  1
  P  P222  1  0.228508  0.517553  0.431806  1
  P  P223  1  0.216753  0.918463  0.489074  1
  P  P224  1  0.716753  0.418463  0.489074  1
  P  P225  1  0.578086  0.847547  0.383334  1
  P  P226  1  0.078086  0.347547  0.383334  1
  P  P227  1  0.062114  0.751298  0.443251  1
  P  P228  1  0.562114  0.251298  0.443251  1
  P  P229  1  0.814022  0.740463  0.446681  1
  P  P230  1  0.314022  0.240463  0.446681  1
  P  P231  1  0.325284  0.844918  0.389834  1
  P  P232  1  0.825284  0.344918  0.389834  1
  P  P233  1  0.561430  0.673432  0.427951  1
  P  P234  1  0.061430  0.173432  0.427951  1
  P  P235  1  0.049227  0.575661  0.484173  1
  P  P236  1  0.549227  0.075661  0.484173  1
  P  P237  1  0.818477  0.927479  0.402737  1
  P  P238  1  0.318477  0.427479  0.402737  1
  P  P239  1  0.306466  0.828641  0.457651  1
  P  P240  1  0.806466  0.328641  0.457651  1
  P  P241  1  0.489849  0.194726  0.394610  1
  P  P242  1  0.989849  0.694726  0.394610  1
  P  P243  1  0.978991  0.094658  0.449566  1
  P  P244  1  0.478991  0.594658  0.449566  1
  P  P245  1  0.723333  0.838262  0.475037  1
  P  P246  1  0.223333  0.338262  0.475037  1
  P  P247  1  0.234214  0.931008  0.420787  1
  P  P248  1  0.734214  0.431008  0.420787  1
  P  P249  1  0.483828  0.813600  0.406987  1
  P  P250  1  0.983828  0.313600  0.406987  1
  P  P251  1  0.970112  0.712046  0.464776  1
  P  P252  1  0.470112  0.212046  0.464776  1
  P  P253  1  0.734288  0.816168  0.403522  1
  P  P254  1  0.234288  0.316168  0.403522  1
  P  P255  1  0.222075  0.719877  0.459250  1
  P  P256  1  0.722075  0.219877  0.459250  1
  P  P257  1  0.570390  0.051017  0.412856  1
  P  P258  1  0.070390  0.551017  0.412856  1
  P  P259  1  0.059001  0.951340  0.468623  1
  P  P260  1  0.559001  0.451340  0.468623  1
  P  P261  1  0.807006  0.943119  0.473915  1
  P  P262  1  0.307006  0.443119  0.473915  1
  P  P263  1  0.318477  0.043465  0.417783  1
  P  P264  1  0.818477  0.543465  0.417783  1
  P  P265  1  0.730788  0.639388  0.446271  1
  P  P266  1  0.230788  0.139388  0.446271  1
  P  P267  1  0.243081  0.736484  0.390693  1
  P  P268  1  0.743081  0.236484  0.390693  1
  P  P269  1  0.474762  0.789860  0.476680  1
  P  P270  1  0.974762  0.289860  0.476680  1
  P  P271  1  0.986598  0.889960  0.421781  1
  P  P272  1  0.486598  0.389960  0.421781  1
  P  P273  1  0.810740  0.123531  0.430382  1
  P  P274  1  0.310740  0.623531  0.430382  1
  P  P275  1  0.298588  0.023721  0.486243  1
  P  P276  1  0.798588  0.523721  0.486243  1
  P  P277  1  0.554845  0.878856  0.454782  1
  P  P278  1  0.054845  0.378856  0.454782  1
  P  P279  1  0.066904  0.974188  0.398788  1
  P  P280  1  0.566904  0.474188  0.398788  1
  P  P281  1  0.653368  0.704457  0.404516  1
  P  P282  1  0.153368  0.204457  0.404516  1
  P  P283  1  0.140274  0.612744  0.459572  1
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