# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   35.50763904
_cell_length_b   24.43911832
_cell_length_c   47.46321623
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.40970556
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe144 P576'
_cell_volume   36165.1849811
_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  0.480381  0.320073  0.387561  1
  Fe  Fe2  1  0.147048  0.320073  0.387561  1
  Fe  Fe3  1  0.502019  0.921679  0.350178  1
  Fe  Fe4  1  0.813715  0.320073  0.387561  1
  Fe  Fe5  1  0.168686  0.921679  0.350178  1
  Fe  Fe6  1  0.524183  0.522516  0.315194  1
  Fe  Fe7  1  0.835353  0.921679  0.350178  1
  Fe  Fe8  1  0.190850  0.522516  0.315194  1
  Fe  Fe9  1  0.857517  0.522516  0.315194  1
  Fe  Fe10  1  0.635983  0.872624  0.279723  1
  Fe  Fe11  1  0.302650  0.872624  0.279723  1
  Fe  Fe12  1  0.588238  0.668396  0.350504  1
  Fe  Fe13  1  0.969317  0.872624  0.279723  1
  Fe  Fe14  1  0.254905  0.668396  0.350504  1
  Fe  Fe15  1  0.609446  0.269522  0.314990  1
  Fe  Fe16  1  0.921572  0.668396  0.350504  1
  Fe  Fe17  1  0.276112  0.269522  0.314990  1
  Fe  Fe18  1  0.942779  0.269522  0.314990  1
  Fe  Fe19  1  0.668686  0.921679  0.350178  1
  Fe  Fe20  1  0.335353  0.921679  0.350178  1
  Fe  Fe21  1  0.690850  0.522516  0.315194  1
  Fe  Fe22  1  0.002019  0.921679  0.350178  1
  Fe  Fe23  1  0.357517  0.522516  0.315194  1
  Fe  Fe24  1  0.647048  0.320073  0.387561  1
  Fe  Fe25  1  0.024183  0.522516  0.315194  1
  Fe  Fe26  1  0.313715  0.320073  0.387561  1
  Fe  Fe27  1  0.980381  0.320073  0.387561  1
  Fe  Fe28  1  0.802650  0.872624  0.279723  1
  Fe  Fe29  1  0.469317  0.872624  0.279723  1
  Fe  Fe30  1  0.754905  0.668396  0.350504  1
  Fe  Fe31  1  0.135983  0.872624  0.279723  1
  Fe  Fe32  1  0.421572  0.668396  0.350504  1
  Fe  Fe33  1  0.776112  0.269522  0.314990  1
  Fe  Fe34  1  0.088238  0.668396  0.350504  1
  Fe  Fe35  1  0.442779  0.269522  0.314990  1
  Fe  Fe36  1  0.109446  0.269522  0.314990  1
  Fe  Fe37  1  0.415014  0.518057  0.499189  1
  Fe  Fe38  1  0.081681  0.518057  0.499189  1
  Fe  Fe39  1  0.436778  0.118591  0.461848  1
  Fe  Fe40  1  0.748347  0.518057  0.499189  1
  Fe  Fe41  1  0.103444  0.118591  0.461848  1
  Fe  Fe42  1  0.458774  0.719619  0.424903  1
  Fe  Fe43  1  0.770111  0.118591  0.461848  1
  Fe  Fe44  1  0.125441  0.719619  0.424903  1
  Fe  Fe45  1  0.792107  0.719619  0.424903  1
  Fe  Fe46  1  0.565839  0.068322  0.388043  1
  Fe  Fe47  1  0.232506  0.068322  0.388043  1
  Fe  Fe48  1  0.522225  0.866969  0.462369  1
  Fe  Fe49  1  0.899173  0.068322  0.388043  1
  Fe  Fe50  1  0.188891  0.866969  0.462369  1
  Fe  Fe51  1  0.543921  0.467708  0.425240  1
  Fe  Fe52  1  0.855558  0.866969  0.462369  1
  Fe  Fe53  1  0.210588  0.467708  0.425240  1
  Fe  Fe54  1  0.877254  0.467708  0.425240  1
  Fe  Fe55  1  0.603444  0.118591  0.461848  1
  Fe  Fe56  1  0.270111  0.118591  0.461848  1
  Fe  Fe57  1  0.625441  0.719619  0.424903  1
  Fe  Fe58  1  0.936778  0.118591  0.461848  1
  Fe  Fe59  1  0.292107  0.719619  0.424903  1
  Fe  Fe60  1  0.581681  0.518057  0.499189  1
  Fe  Fe61  1  0.958774  0.719619  0.424903  1
  Fe  Fe62  1  0.248347  0.518057  0.499189  1
  Fe  Fe63  1  0.915014  0.518057  0.499189  1
  Fe  Fe64  1  0.732506  0.068322  0.388043  1
  Fe  Fe65  1  0.399173  0.068322  0.388043  1
  Fe  Fe66  1  0.688891  0.866969  0.462369  1
  Fe  Fe67  1  0.065839  0.068322  0.388043  1
  Fe  Fe68  1  0.355558  0.866969  0.462369  1
  Fe  Fe69  1  0.710588  0.467708  0.425240  1
  Fe  Fe70  1  0.022225  0.866969  0.462369  1
  Fe  Fe71  1  0.377254  0.467708  0.425240  1
  Fe  Fe72  1  0.043921  0.467708  0.425240  1
  Fe  Fe73  1  0.349451  0.716024  0.610610  1
  Fe  Fe74  1  0.016117  0.716024  0.610610  1
  Fe  Fe75  1  0.371369  0.316638  0.573413  1
  Fe  Fe76  1  0.682784  0.716024  0.610610  1
  Fe  Fe77  1  0.038036  0.316638  0.573413  1
  Fe  Fe78  1  0.393065  0.917377  0.536283  1
  Fe  Fe79  1  0.704702  0.316638  0.573413  1
  Fe  Fe80  1  0.059732  0.917377  0.536283  1
  Fe  Fe81  1  0.726399  0.917377  0.536283  1
  Fe  Fe82  1  0.500276  0.266289  0.499463  1
  Fe  Fe83  1  0.166943  0.266289  0.499463  1
  Fe  Fe84  1  0.456516  0.064727  0.573749  1
  Fe  Fe85  1  0.833609  0.266289  0.499463  1
  Fe  Fe86  1  0.123183  0.064727  0.573749  1
  Fe  Fe87  1  0.478512  0.665755  0.536804  1
  Fe  Fe88  1  0.789849  0.064727  0.573749  1
  Fe  Fe89  1  0.145179  0.665755  0.536804  1
  Fe  Fe90  1  0.811846  0.665755  0.536804  1
  Fe  Fe91  1  0.538036  0.316638  0.573413  1
  Fe  Fe92  1  0.204702  0.316638  0.573413  1
  Fe  Fe93  1  0.559732  0.917377  0.536283  1
  Fe  Fe94  1  0.871369  0.316638  0.573413  1
  Fe  Fe95  1  0.226399  0.917377  0.536283  1
  Fe  Fe96  1  0.516117  0.716024  0.610610  1
  Fe  Fe97  1  0.893065  0.917377  0.536283  1
  Fe  Fe98  1  0.182784  0.716024  0.610610  1
  Fe  Fe99  1  0.849451  0.716024  0.610610  1
  Fe  Fe100  1  0.666943  0.266289  0.499463  1
  Fe  Fe101  1  0.333609  0.266289  0.499463  1
  Fe  Fe102  1  0.623183  0.064727  0.573749  1
  Fe  Fe103  1  1.000276  0.266289  0.499463  1
  Fe  Fe104  1  0.289849  0.064727  0.573749  1
  Fe  Fe105  1  0.645179  0.665755  0.536804  1
  Fe  Fe106  1  0.956516  0.064727  0.573749  1
  Fe  Fe107  1  0.311846  0.665755  0.536804  1
  Fe  Fe108  1  0.978512  0.665755  0.536804  1
  Fe  Fe109  1  0.279307  0.911722  0.718930  1
  Fe  Fe110  1  0.945973  0.911722  0.718930  1
  Fe  Fe111  1  0.305844  0.514824  0.683663  1
  Fe  Fe112  1  0.612640  0.911722  0.718930  1
  Fe  Fe113  1  0.972511  0.514824  0.683663  1
  Fe  Fe114  1  0.327051  0.115950  0.648148  1
  Fe  Fe115  1  0.639178  0.514824  0.683663  1
  Fe  Fe116  1  0.993718  0.115950  0.648148  1
  Fe  Fe117  1  0.660385  0.115950  0.648148  1
  Fe  Fe118  1  0.434908  0.464273  0.611091  1
  Fe  Fe119  1  0.101575  0.464273  0.611091  1
  Fe  Fe120  1  0.391106  0.261830  0.683458  1
  Fe  Fe121  1  0.768242  0.464273  0.611091  1
  Fe  Fe122  1  0.057773  0.261830  0.683458  1
  Fe  Fe123  1  0.413270  0.862667  0.648474  1
  Fe  Fe124  1  0.724440  0.261830  0.683458  1
  Fe  Fe125  1  0.079937  0.862667  0.648474  1
  Fe  Fe126  1  0.746604  0.862667  0.648474  1
  Fe  Fe127  1  0.472511  0.514824  0.683663  1
  Fe  Fe128  1  0.139178  0.514824  0.683663  1
  Fe  Fe129  1  0.493718  0.115950  0.648148  1
  Fe  Fe130  1  0.805844  0.514824  0.683663  1
  Fe  Fe131  1  0.160385  0.115950  0.648148  1
  Fe  Fe132  1  0.445973  0.911722  0.718930  1
  Fe  Fe133  1  0.827051  0.115950  0.648148  1
  Fe  Fe134  1  0.112640  0.911722  0.718930  1
  Fe  Fe135  1  0.779307  0.911722  0.718930  1
  Fe  Fe136  1  0.601575  0.464273  0.611091  1
  Fe  Fe137  1  0.268242  0.464273  0.611091  1
  Fe  Fe138  1  0.557773  0.261830  0.683458  1
  Fe  Fe139  1  0.934908  0.464273  0.611091  1
  Fe  Fe140  1  0.224440  0.261830  0.683458  1
  Fe  Fe141  1  0.579937  0.862667  0.648474  1
  Fe  Fe142  1  0.891106  0.261830  0.683458  1
  Fe  Fe143  1  0.246604  0.862667  0.648474  1
  Fe  Fe144  1  0.913270  0.862667  0.648474  1
  P  P145  1  0.757356  0.748742  0.279961  1
  P  P146  1  0.424022  0.748742  0.279961  1
  P  P147  1  0.712702  0.547118  0.353334  1
  P  P148  1  0.090689  0.748742  0.279961  1
  P  P149  1  0.379368  0.547118  0.353334  1
  P  P150  1  0.733864  0.146953  0.315254  1
  P  P151  1  0.046035  0.547118  0.353334  1
  P  P152  1  0.400531  0.146953  0.315254  1
  P  P153  1  0.067197  0.146953  0.315254  1
  P  P154  1  0.832361  0.599735  0.284910  1
  P  P155  1  0.499027  0.599735  0.284910  1
  P  P156  1  0.786048  0.398493  0.358489  1
  P  P157  1  0.165694  0.599735  0.284910  1
  P  P158  1  0.452715  0.398493  0.358489  1
  P  P159  1  0.807723  1.000526  0.320865  1
  P  P160  1  0.119382  0.398493  0.358489  1
  P  P161  1  0.474389  1.000526  0.320865  1
  P  P162  1  0.141056  1.000526  0.320865  1
  P  P163  1  0.574662  0.945346  0.294674  1
  P  P164  1  0.241329  0.945346  0.294674  1
  P  P165  1  0.533241  0.747093  0.370256  1
  P  P166  1  0.907996  0.945346  0.294674  1
  P  P167  1  0.199907  0.747093  0.370256  1
  P  P168  1  0.553638  0.348496  0.333126  1
  P  P169  1  0.866574  0.747093  0.370256  1
  P  P170  1  0.220305  0.348496  0.333126  1
  P  P171  1  0.886971  0.348496  0.333126  1
  P  P172  1  0.448945  0.093292  0.378572  1
  P  P173  1  0.115611  0.093292  0.378572  1
  P  P174  1  0.471361  0.694101  0.341995  1
  P  P175  1  0.782278  0.093292  0.378572  1
  P  P176  1  0.138028  0.694101  0.341995  1
  P  P177  1  0.492477  0.294748  0.304626  1
  P  P178  1  0.804695  0.694101  0.341995  1
  P  P179  1  0.159143  0.294748  0.304626  1
  P  P180  1  0.825810  0.294748  0.304626  1
  P  P181  1  0.545817  0.041125  0.349316  1
  P  P182  1  0.212484  0.041125  0.349316  1
  P  P183  1  0.568709  0.642158  0.311133  1
  P  P184  1  0.879151  0.041125  0.349316  1
  P  P185  1  0.235375  0.642158  0.311133  1
  P  P186  1  0.522898  0.442555  0.386270  1
  P  P187  1  0.902042  0.642158  0.311133  1
  P  P188  1  0.189565  0.442555  0.386270  1
  P  P189  1  0.856231  0.442555  0.386270  1
  P  P190  1  0.724764  0.842605  0.331250  1
  P  P191  1  0.391430  0.842605  0.331250  1
  P  P192  1  0.742882  0.442559  0.293274  1
  P  P193  1  0.058097  0.842605  0.331250  1
  P  P194  1  0.409549  0.442559  0.293274  1
  P  P195  1  0.702213  0.241307  0.367987  1
  P  P196  1  0.076215  0.442559  0.293274  1
  P  P197  1  0.368880  0.241307  0.367987  1
  P  P198  1  0.035547  0.241307  0.367987  1
  P  P199  1  0.470125  0.191502  0.344049  1
  P  P200  1  0.136791  0.191502  0.344049  1
  P  P201  1  0.493353  0.790783  0.305942  1
  P  P202  1  0.803458  0.191502  0.344049  1
  P  P203  1  0.160019  0.790783  0.305942  1
  P  P204  1  0.448819  0.590885  0.380080  1
  P  P205  1  0.826686  0.790783  0.305942  1
  P  P206  1  0.115485  0.590885  0.380080  1
  P  P207  1  0.782152  0.590885  0.380080  1
  P  P208  1  0.786115  0.895647  0.359684  1
  P  P209  1  0.452782  0.895647  0.359684  1
  P  P210  1  0.807356  0.496270  0.321558  1
  P  P211  1  0.119448  0.895647  0.359684  1
  P  P212  1  0.474023  0.496270  0.321558  1
  P  P213  1  0.833301  0.100586  0.289788  1
  P  P214  1  0.140689  0.496270  0.321558  1
  P  P215  1  0.499968  0.100586  0.289788  1
  P  P216  1  0.166634  0.100586  0.289788  1
  P  P217  1  0.567197  0.146953  0.315254  1
  P  P218  1  0.233864  0.146953  0.315254  1
  P  P219  1  0.590689  0.748742  0.279961  1
  P  P220  1  0.900531  0.146953  0.315254  1
  P  P221  1  0.257356  0.748742  0.279961  1
  P  P222  1  0.546035  0.547118  0.353334  1
  P  P223  1  0.924022  0.748742  0.279961  1
  P  P224  1  0.212702  0.547118  0.353334  1
  P  P225  1  0.879368  0.547118  0.353334  1
  P  P226  1  0.641056  1.000526  0.320865  1
  P  P227  1  0.307723  1.000526  0.320865  1
  P  P228  1  0.665694  0.599735  0.284910  1
  P  P229  1  0.974389  1.000526  0.320865  1
  P  P230  1  0.332361  0.599735  0.284910  1
  P  P231  1  0.619382  0.398493  0.358489  1
  P  P232  1  0.999027  0.599735  0.284910  1
  P  P233  1  0.286048  0.398493  0.358489  1
  P  P234  1  0.952715  0.398493  0.358489  1
  P  P235  1  0.741329  0.945346  0.294674  1
  P  P236  1  0.407996  0.945346  0.294674  1
  P  P237  1  0.699907  0.747093  0.370256  1
  P  P238  1  0.074662  0.945346  0.294674  1
  P  P239  1  0.366574  0.747093  0.370256  1
  P  P240  1  0.720305  0.348496  0.333126  1
  P  P241  1  0.033241  0.747093  0.370256  1
  P  P242  1  0.386971  0.348496  0.333126  1
  P  P243  1  0.053638  0.348496  0.333126  1
  P  P244  1  0.615611  0.093292  0.378572  1
  P  P245  1  0.282278  0.093292  0.378572  1
  P  P246  1  0.638028  0.694101  0.341995  1
  P  P247  1  0.948945  0.093292  0.378572  1
  P  P248  1  0.304695  0.694101  0.341995  1
  P  P249  1  0.659143  0.294748  0.304626  1
  P  P250  1  0.971361  0.694101  0.341995  1
  P  P251  1  0.325810  0.294748  0.304626  1
  P  P252  1  0.992477  0.294748  0.304626  1
  P  P253  1  0.712484  0.041125  0.349316  1
  P  P254  1  0.379151  0.041125  0.349316  1
  P  P255  1  0.735375  0.642158  0.311133  1
  P  P256  1  0.045817  0.041125  0.349316  1
  P  P257  1  0.402042  0.642158  0.311133  1
  P  P258  1  0.689565  0.442555  0.386270  1
  P  P259  1  0.068709  0.642158  0.311133  1
  P  P260  1  0.356231  0.442555  0.386270  1
  P  P261  1  0.022898  0.442555  0.386270  1
  P  P262  1  0.535547  0.241307  0.367987  1
  P  P263  1  0.202213  0.241307  0.367987  1
  P  P264  1  0.558097  0.842605  0.331250  1
  P  P265  1  0.868880  0.241307  0.367987  1
  P  P266  1  0.224764  0.842605  0.331250  1
  P  P267  1  0.576215  0.442559  0.293274  1
  P  P268  1  0.891430  0.842605  0.331250  1
  P  P269  1  0.242882  0.442559  0.293274  1
  P  P270  1  0.909549  0.442559  0.293274  1
  P  P271  1  0.660019  0.790783  0.305942  1
  P  P272  1  0.326686  0.790783  0.305942  1
  P  P273  1  0.615485  0.590885  0.380080  1
  P  P274  1  0.993353  0.790783  0.305942  1
  P  P275  1  0.282152  0.590885  0.380080  1
  P  P276  1  0.636791  0.191502  0.344049  1
  P  P277  1  0.948819  0.590885  0.380080  1
  P  P278  1  0.303458  0.191502  0.344049  1
  P  P279  1  0.970125  0.191502  0.344049  1
  P  P280  1  0.619448  0.895647  0.359684  1
  P  P281  1  0.286115  0.895647  0.359684  1
  P  P282  1  0.640689  0.496270  0.321558  1
  P  P283  1  0.952782  0.895647  0.359684  1
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