# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   34.27909182
_cell_length_b   15.14348958
_cell_length_c   47.63224887
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.55356332
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe96 P384'
_cell_volume   23315.593127
_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  0.711490  0.020632  0.339124  1
  Fe  Fe2  1  0.211490  0.020632  0.339124  1
  Fe  Fe3  1  0.718259  0.395807  0.302356  1
  Fe  Fe4  1  0.218259  0.395807  0.302356  1
  Fe  Fe5  1  0.460193  0.990633  0.339946  1
  Fe  Fe6  1  0.960193  0.990633  0.339946  1
  Fe  Fe7  1  0.477712  0.343879  0.291120  1
  Fe  Fe8  1  0.977712  0.343879  0.291120  1
  Fe  Fe9  1  0.869433  0.564794  0.331300  1
  Fe  Fe10  1  0.369433  0.564794  0.331300  1
  Fe  Fe11  1  0.874089  0.915940  0.279348  1
  Fe  Fe12  1  0.374089  0.915940  0.279348  1
  Fe  Fe13  1  0.644798  0.941319  0.283898  1
  Fe  Fe14  1  0.144798  0.941319  0.283898  1
  Fe  Fe15  1  0.620339  0.617310  0.336266  1
  Fe  Fe16  1  0.120339  0.617310  0.336266  1
  Fe  Fe17  1  0.788948  0.624591  0.364455  1
  Fe  Fe18  1  0.288948  0.624591  0.364455  1
  Fe  Fe19  1  0.798294  0.965942  0.309672  1
  Fe  Fe20  1  0.298294  0.965942  0.309672  1
  Fe  Fe21  1  0.559869  0.663709  0.292862  1
  Fe  Fe22  1  0.059869  0.663709  0.292862  1
  Fe  Fe23  1  0.538663  0.284981  0.334738  1
  Fe  Fe24  1  0.038663  0.284981  0.334738  1
  Fe  Fe25  1  0.684412  0.298249  0.450701  1
  Fe  Fe26  1  0.184412  0.298249  0.450701  1
  Fe  Fe27  1  0.692554  0.692304  0.405563  1
  Fe  Fe28  1  0.192554  0.692304  0.405563  1
  Fe  Fe29  1  0.432273  0.265252  0.451870  1
  Fe  Fe30  1  0.932273  0.265252  0.451870  1
  Fe  Fe31  1  0.451143  0.624002  0.396564  1
  Fe  Fe32  1  0.951143  0.624002  0.396564  1
  Fe  Fe33  1  0.842891  0.839762  0.443714  1
  Fe  Fe34  1  0.342891  0.839762  0.443714  1
  Fe  Fe35  1  0.856540  0.189280  0.381006  1
  Fe  Fe36  1  0.356540  0.189280  0.381006  1
  Fe  Fe37  1  0.603334  0.227535  0.384151  1
  Fe  Fe38  1  0.103334  0.227535  0.384151  1
  Fe  Fe39  1  0.593386  0.894322  0.450847  1
  Fe  Fe40  1  0.093386  0.894322  0.450847  1
  Fe  Fe41  1  0.761472  0.900966  0.476710  1
  Fe  Fe42  1  0.261472  0.900966  0.476710  1
  Fe  Fe43  1  0.764871  0.243854  0.419513  1
  Fe  Fe44  1  0.264871  0.243854  0.419513  1
  Fe  Fe45  1  0.522175  0.946410  0.389645  1
  Fe  Fe46  1  0.022175  0.946410  0.389645  1
  Fe  Fe47  1  0.513527  0.563088  0.446666  1
  Fe  Fe48  1  0.013527  0.563088  0.446666  1
  Fe  Fe49  1  0.657990  0.574758  0.562147  1
  Fe  Fe50  1  0.157990  0.574758  0.562147  1
  Fe  Fe51  1  0.666061  0.966960  0.517906  1
  Fe  Fe52  1  0.166061  0.966960  0.517906  1
  Fe  Fe53  1  0.405458  0.540965  0.563505  1
  Fe  Fe54  1  0.905458  0.540965  0.563505  1
  Fe  Fe55  1  0.423564  0.902787  0.508892  1
  Fe  Fe56  1  0.923564  0.902787  0.508892  1
  Fe  Fe57  1  0.815936  0.117944  0.555552  1
  Fe  Fe58  1  0.315936  0.117944  0.555552  1
  Fe  Fe59  1  0.830721  0.465263  0.492819  1
  Fe  Fe60  1  0.330721  0.465263  0.492819  1
  Fe  Fe61  1  0.576489  0.508559  0.495966  1
  Fe  Fe62  1  0.076489  0.508559  0.495966  1
  Fe  Fe63  1  0.566882  0.169090  0.563138  1
  Fe  Fe64  1  0.066882  0.169090  0.563138  1
  Fe  Fe65  1  0.734654  0.179121  0.588610  1
  Fe  Fe66  1  0.234654  0.179121  0.588610  1
  Fe  Fe67  1  0.738398  0.520187  0.530573  1
  Fe  Fe68  1  0.238398  0.520187  0.530573  1
  Fe  Fe69  1  0.495128  0.220570  0.502135  1
  Fe  Fe70  1  0.995128  0.220570  0.502135  1
  Fe  Fe71  1  0.486687  0.840960  0.558743  1
  Fe  Fe72  1  0.986687  0.840960  0.558743  1
  Fe  Fe73  1  0.631120  0.849182  0.671911  1
  Fe  Fe74  1  0.131120  0.849182  0.671911  1
  Fe  Fe75  1  0.639485  0.243803  0.630424  1
  Fe  Fe76  1  0.139485  0.243803  0.630424  1
  Fe  Fe77  1  0.375541  0.822427  0.673023  1
  Fe  Fe78  1  0.875541  0.822427  0.673023  1
  Fe  Fe79  1  0.398338  0.177245  0.621656  1
  Fe  Fe80  1  0.898338  0.177245  0.621656  1
  Fe  Fe81  1  0.792349  0.395388  0.667879  1
  Fe  Fe82  1  0.292349  0.395388  0.667879  1
  Fe  Fe83  1  0.798501  0.742769  0.607566  1
  Fe  Fe84  1  0.298501  0.742769  0.607566  1
  Fe  Fe85  1  0.549773  0.784562  0.607918  1
  Fe  Fe86  1  0.049773  0.784562  0.607918  1
  Fe  Fe87  1  0.539824  0.455238  0.673005  1
  Fe  Fe88  1  0.039824  0.455238  0.673005  1
  Fe  Fe89  1  0.712850  0.456206  0.695184  1
  Fe  Fe90  1  0.212850  0.456206  0.695184  1
  Fe  Fe91  1  0.715028  0.790427  0.640054  1
  Fe  Fe92  1  0.215028  0.790427  0.640054  1
  Fe  Fe93  1  0.468562  0.497650  0.614081  1
  Fe  Fe94  1  0.968562  0.497650  0.614081  1
  Fe  Fe95  1  0.460934  0.113398  0.668733  1
  Fe  Fe96  1  0.960934  0.113398  0.668733  1
  P  P97  1  0.659941  0.959616  0.360586  1
  P  P98  1  0.159941  0.959616  0.360586  1
  P  P99  1  0.670518  0.335021  0.314270  1
  P  P100  1  0.170518  0.335021  0.314270  1
  P  P101  1  0.416920  0.118878  0.308475  1
  P  P102  1  0.916920  0.118878  0.308475  1
  P  P103  1  0.412915  0.758348  0.365652  1
  P  P104  1  0.912915  0.758348  0.365652  1
  P  P105  1  0.923455  0.620982  0.310735  1
  P  P106  1  0.423455  0.620982  0.310735  1
  P  P107  1  0.904350  0.260273  0.362081  1
  P  P108  1  0.404350  0.260273  0.362081  1
  P  P109  1  0.676067  0.814375  0.307835  1
  P  P110  1  0.176067  0.814375  0.307835  1
  P  P111  1  0.656329  0.483785  0.367939  1
  P  P112  1  0.156329  0.483785  0.367939  1
  P  P113  1  0.660678  0.698858  0.360164  1
  P  P114  1  0.160678  0.698858  0.360164  1
  P  P115  1  0.680902  0.035814  0.290968  1
  P  P116  1  0.180902  0.035814  0.290968  1
  P  P117  1  0.919191  0.407298  0.314577  1
  P  P118  1  0.419191  0.407298  0.314577  1
  P  P119  1  0.904322  0.034064  0.370265  1
  P  P120  1  0.404322  0.034064  0.370265  1
  P  P121  1  0.498505  0.199109  0.308342  1
  P  P122  1  0.998505  0.199109  0.308342  1
  P  P123  1  0.487475  0.851183  0.368068  1
  P  P124  1  0.987475  0.851183  0.368068  1
  P  P125  1  0.736426  0.772706  0.381395  1
  P  P126  1  0.236426  0.772706  0.381395  1
  P  P127  1  0.748016  0.118251  0.317766  1
  P  P128  1  0.248016  0.118251  0.317766  1
  P  P129  1  0.592650  0.758980  0.305914  1
  P  P130  1  0.092650  0.758980  0.305914  1
  P  P131  1  0.580749  0.367839  0.356229  1
  P  P132  1  0.080749  0.367839  0.356229  1
  P  P133  1  0.844157  0.812265  0.290183  1
  P  P134  1  0.344157  0.812265  0.290183  1
  P  P135  1  0.834228  0.470382  0.354771  1
  P  P136  1  0.334228  0.470382  0.354771  1
  P  P137  1  0.568879  0.143521  0.362361  1
  P  P138  1  0.068879  0.143521  0.362361  1
  P  P139  1  0.587925  0.523362  0.311902  1
  P  P140  1  0.087925  0.523362  0.311902  1
  P  P141  1  0.830635  0.709912  0.346881  1
  P  P142  1  0.330635  0.709912  0.346881  1
  P  P143  1  0.834025  0.061873  0.282499  1
  P  P144  1  0.334025  0.061873  0.282499  1
  P  P145  1  0.489676  0.083558  0.363351  1
  P  P146  1  0.989676  0.083558  0.363351  1
  P  P147  1  0.512431  0.434775  0.304411  1
  P  P148  1  0.012431  0.434775  0.304411  1
  P  P149  1  0.754964  0.880754  0.327099  1
  P  P150  1  0.254964  0.880754  0.327099  1
  P  P151  1  0.762820  0.284438  0.277606  1
  P  P152  1  0.262820  0.284438  0.277606  1
  P  P153  1  0.486824  0.343279  0.366996  1
  P  P154  1  0.986824  0.343279  0.366996  1
  P  P155  1  0.500141  0.713521  0.313943  1
  P  P156  1  0.000141  0.713521  0.313943  1
  P  P157  1  0.752718  0.629322  0.324674  1
  P  P158  1  0.252718  0.629322  0.324674  1
  P  P159  1  0.733378  0.250259  0.374194  1
  P  P160  1  0.233378  0.250259  0.374194  1
  P  P161  1  0.577277  0.890848  0.361324  1
  P  P162  1  0.077277  0.890848  0.361324  1
  P  P163  1  0.592133  0.230633  0.300126  1
  P  P164  1  0.092133  0.230633  0.300126  1
  P  P165  1  0.831380  0.957043  0.349964  1
  P  P166  1  0.331380  0.957043  0.349964  1
  P  P167  1  0.840626  0.345829  0.299664  1
  P  P168  1  0.340626  0.345829  0.299664  1
  P  P169  1  0.760479  0.771356  0.271623  1
  P  P170  1  0.260479  0.771356  0.271623  1
  P  P171  1  0.754600  0.408807  0.338525  1
  P  P172  1  0.254600  0.408807  0.338525  1
  P  P173  1  0.507384  0.940431  0.306050  1
  P  P174  1  0.007384  0.940431  0.306050  1
  P  P175  1  0.499722  0.560670  0.362041  1
  P  P176  1  -0.000278  0.560670  0.362041  1
  P  P177  1  0.838777  0.576052  0.288813  1
  P  P178  1  0.338777  0.576052  0.288813  1
  P  P179  1  0.822876  0.190382  0.339668  1
  P  P180  1  0.322876  0.190382  0.339668  1
  P  P181  1  0.587461  0.013890  0.306754  1
  P  P182  1  0.087461  0.013890  0.306754  1
  P  P183  1  0.570239  0.669722  0.369964  1
  P  P184  1  0.070239  0.669722  0.369964  1
  P  P185  1  0.676753  0.558426  0.301602  1
  P  P186  1  0.176753  0.558426  0.301602  1
  P  P187  1  0.658503  0.168625  0.350620  1
  P  P188  1  0.158503  0.168625  0.350620  1
  P  P189  1  0.419264  0.900055  0.313603  1
  P  P190  1  0.919264  0.900055  0.313603  1
  P  P191  1  0.409123  0.540294  0.372760  1
  P  P192  1  0.909123  0.540294  0.372760  1
  P  P193  1  0.631923  0.236668  0.471013  1
  P  P194  1  0.131923  0.236668  0.471013  1
  P  P195  1  0.643930  0.621387  0.423865  1
  P  P196  1  0.143930  0.621387  0.423865  1
  P  P197  1  0.391717  0.393952  0.419393  1
  P  P198  1  0.891717  0.393952  0.419393  1
  P  P199  1  0.384754  0.035576  0.477879  1
  P  P200  1  0.884754  0.035576  0.477879  1
  P  P201  1  0.896442  0.897289  0.421935  1
  P  P202  1  0.396442  0.897289  0.421935  1
  P  P203  1  0.878646  0.535445  0.473930  1
  P  P204  1  0.378646  0.535445  0.473930  1
  P  P205  1  0.642877  0.098593  0.415329  1
  P  P206  1  0.142877  0.098593  0.415329  1
  P  P207  1  0.631361  0.759456  0.479114  1
  P  P208  1  0.131361  0.759456  0.479114  1
  P  P209  1  0.632999  0.982917  0.472460  1
  P  P210  1  0.132999  0.982917  0.472460  1
  P  P211  1  0.646997  0.310146  0.407072  1
  P  P212  1  0.146997  0.310146  0.407072  1
  P  P213  1  0.894271  0.683465  0.427986  1
  P  P214  1  0.394271  0.683465  0.427986  1
  P  P215  1  0.877312  0.309364  0.482138  1
  P  P216  1  0.377312  0.309364  0.482138  1
  P  P217  1  0.472844  0.480178  0.424008  1
  P  P218  1  0.972844  0.480178  0.424008  1
  P  P219  1  0.459929  0.125995  0.480306  1
  P  P220  1  0.959929  0.125995  0.480306  1
  P  P221  1  0.709802  0.050414  0.494596  1
  P  P222  1  0.209802  0.050414  0.494596  1
  P  P223  1  0.718264  0.397460  0.428343  1
  P  P224  1  0.218264  0.397460  0.428343  1
  P  P225  1  0.561373  0.029160  0.418808  1
  P  P226  1  0.061373  0.029160  0.418808  1
  P  P227  1  0.555154  0.649519  0.467801  1
  P  P228  1  0.055154  0.649519  0.467801  1
  P  P229  1  0.816963  0.096321  0.404141  1
  P  P230  1  0.316963  0.096321  0.404141  1
  P  P231  1  0.806322  0.746145  0.466006  1
  P  P232  1  0.306322  0.746145  0.466006  1
  P  P233  1  0.542747  0.421018  0.475457  1
  P  P234  1  0.042747  0.421018  0.475457  1
  P  P235  1  0.556923  0.812407  0.423747  1
  P  P236  1  0.056923  0.812407  0.423747  1
  P  P237  1  0.802605  0.985384  0.458508  1
  P  P238  1  0.302605  0.985384  0.458508  1
  P  P239  1  0.809827  0.327392  0.397404  1
  P  P240  1  0.309827  0.327392  0.397404  1
  P  P241  1  0.462947  0.356607  0.476046  1
  P  P242  1  0.962947  0.356607  0.476046  1
  P  P243  1  0.485942  0.707250  0.417944  1
  P  P244  1  0.985942  0.707250  0.417944  1
  P  P245  1  0.725190  0.153462  0.438453  1
  P  P246  1  0.225190  0.153462  0.438453  1
  P  P247  1  0.741498  0.549831  0.389853  1
  P  P248  1  0.241498  0.549831  0.389853  1
  P  P249  1  0.460673  0.623221  0.478914  1
  P  P250  1  0.960673  0.623221  0.478914  1
  P  P251  1  0.472570  0.990233  0.424690  1
  P  P252  1  0.972570  0.990233  0.424690  1
  P  P253  1  0.722839  0.913066  0.437295  1
  P  P254  1  0.222839  0.913066  0.437295  1
  P  P255  1  0.707104  0.528576  0.485630  1
  P  P256  1  0.207104  0.528576  0.485630  1
  P  P257  1  0.549824  0.168291  0.473442  1
  P  P258  1  0.049824  0.168291  0.473442  1
  P  P259  1  0.567296  0.505287  0.413353  1
  P  P260  1  0.067296  0.505287  0.413353  1
  P  P261  1  0.803034  0.233614  0.459594  1
  P  P262  1  0.303034  0.233614  0.459594  1
  P  P263  1  0.819311  0.613141  0.409361  1
  P  P264  1  0.319311  0.613141  0.409361  1
  P  P265  1  0.739435  0.026437  0.382427  1
  P  P266  1  0.239435  0.026437  0.382427  1
  P  P267  1  0.726828  0.686397  0.446348  1
  P  P268  1  0.226828  0.686397  0.446348  1
  P  P269  1  0.480085  0.213171  0.418943  1
  P  P270  1  0.980085  0.213171  0.418943  1
  P  P271  1  0.471789  0.841003  0.474143  1
  P  P272  1  0.971789  0.841003  0.474143  1
  P  P273  1  0.813106  0.841633  0.402120  1
  P  P274  1  0.313106  0.841633  0.402120  1
  P  P275  1  0.796396  0.466457  0.451829  1
  P  P276  1  0.296396  0.466457  0.451829  1
  P  P277  1  0.556648  0.291584  0.418591  1
  P  P278  1  0.056648  0.291584  0.418591  1
  P  P279  1  0.542617  0.946523  0.481980  1
  P  P280  1  0.042617  0.946523  0.481980  1
  P  P281  1  0.645393  0.845782  0.415723  1
  P  P282  1  0.145393  0.845782  0.415723  1
  P  P283  1  0.632705  0.450874  0.463590  1
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