# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77394043
_cell_length_b   29.93332786
_cell_length_c   53.07856471
_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   10762.55902
_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  0.750062  0.490963  0.327817  1
  Fe  Fe2  1  0.750062  0.176951  0.288070  1
  Fe  Fe3  1  0.750062  0.807372  0.370131  1
  Fe  Fe4  1  0.250062  0.435097  0.256613  1
  Fe  Fe5  1  0.250062  0.067026  0.338131  1
  Fe  Fe6  1  0.250062  0.749739  0.297760  1
  Fe  Fe7  1  0.750062  0.307372  0.370131  1
  Fe  Fe8  1  0.750062  0.990963  0.327817  1
  Fe  Fe9  1  0.750062  0.676951  0.288070  1
  Fe  Fe10  1  0.250062  0.249739  0.297760  1
  Fe  Fe11  1  0.250062  0.935097  0.256613  1
  Fe  Fe12  1  0.250062  0.567026  0.338131  1
  Fe  Fe13  1  0.750062  0.438888  0.453490  1
  Fe  Fe14  1  0.750062  0.122334  0.411818  1
  Fe  Fe15  1  0.750062  0.754804  0.495137  1
  Fe  Fe16  1  0.250062  0.383549  0.380116  1
  Fe  Fe17  1  0.250062  0.015479  0.463501  1
  Fe  Fe18  1  0.250062  0.699546  0.422012  1
  Fe  Fe19  1  0.750062  0.254804  0.495137  1
  Fe  Fe20  1  0.750062  0.938888  0.453490  1
  Fe  Fe21  1  0.750062  0.622334  0.411818  1
  Fe  Fe22  1  0.250062  0.199546  0.422012  1
  Fe  Fe23  1  0.250062  0.883549  0.380116  1
  Fe  Fe24  1  0.250062  0.515479  0.463501  1
  Fe  Fe25  1  0.750062  0.386946  0.578454  1
  Fe  Fe26  1  0.750062  0.071013  0.536964  1
  Fe  Fe27  1  0.750062  0.702943  0.620350  1
  Fe  Fe28  1  0.250062  0.331688  0.505328  1
  Fe  Fe29  1  0.250062  0.964158  0.588647  1
  Fe  Fe30  1  0.250062  0.647604  0.546975  1
  Fe  Fe31  1  0.750062  0.202943  0.620350  1
  Fe  Fe32  1  0.750062  0.886946  0.578454  1
  Fe  Fe33  1  0.750062  0.571013  0.536964  1
  Fe  Fe34  1  0.250062  0.147604  0.546975  1
  Fe  Fe35  1  0.250062  0.831688  0.505328  1
  Fe  Fe36  1  0.250062  0.464158  0.588647  1
  Fe  Fe37  1  0.750062  0.336753  0.702705  1
  Fe  Fe38  1  0.750062  0.019466  0.662334  1
  Fe  Fe39  1  0.750062  0.651395  0.743852  1
  Fe  Fe40  1  0.250062  0.279120  0.630334  1
  Fe  Fe41  1  0.250062  0.909541  0.712395  1
  Fe  Fe42  1  0.250062  0.595529  0.672649  1
  Fe  Fe43  1  0.750062  0.151395  0.743852  1
  Fe  Fe44  1  0.750062  0.836753  0.702705  1
  Fe  Fe45  1  0.750062  0.519466  0.662334  1
  Fe  Fe46  1  0.250062  0.095529  0.672649  1
  Fe  Fe47  1  0.250062  0.779120  0.630334  1
  Fe  Fe48  1  0.250062  0.409541  0.712395  1
  P  P49  1  0.487628  0.265639  0.365117  1
  P  P50  1  0.489292  0.948821  0.322350  1
  P  P51  1  0.492871  0.634226  0.281517  1
  P  P52  1  0.750062  0.203864  0.325789  1
  P  P53  1  0.750062  0.887299  0.282156  1
  P  P54  1  0.750062  0.519100  0.365686  1
  P  P55  1  0.990483  0.477095  0.260891  1
  P  P56  1  0.987557  0.108347  0.344052  1
  P  P57  1  0.989390  0.792130  0.302966  1
  P  P58  1  0.250062  0.511501  0.364584  1
  P  P59  1  0.250062  0.194814  0.324211  1
  P  P60  1  0.250062  0.877341  0.281058  1
  P  P61  1  0.509642  0.477095  0.260891  1
  P  P62  1  0.512568  0.108347  0.344052  1
  P  P63  1  0.510734  0.792130  0.302966  1
  P  P64  1  0.012496  0.265639  0.365117  1
  P  P65  1  0.010832  0.948821  0.322350  1
  P  P66  1  0.007253  0.634226  0.281517  1
  P  P67  1  0.250062  0.539733  0.300163  1
  P  P68  1  0.250062  0.224397  0.259272  1
  P  P69  1  0.250062  0.854900  0.342426  1
  P  P70  1  0.750062  0.230258  0.260022  1
  P  P71  1  0.750062  0.862219  0.343033  1
  P  P72  1  0.750062  0.546484  0.301177  1
  P  P73  1  0.489292  0.448821  0.322350  1
  P  P74  1  0.492871  0.134226  0.281517  1
  P  P75  1  0.487628  0.765639  0.365117  1
  P  P76  1  0.750062  0.387299  0.282156  1
  P  P77  1  0.750062  0.019100  0.365686  1
  P  P78  1  0.750062  0.703864  0.325789  1
  P  P79  1  0.989390  0.292130  0.302966  1
  P  P80  1  0.990483  0.977095  0.260891  1
  P  P81  1  0.987557  0.608347  0.344052  1
  P  P82  1  0.250062  0.377341  0.281058  1
  P  P83  1  0.250062  0.011501  0.364584  1
  P  P84  1  0.250062  0.694814  0.324211  1
  P  P85  1  0.510734  0.292130  0.302966  1
  P  P86  1  0.509642  0.977095  0.260891  1
  P  P87  1  0.512568  0.608347  0.344052  1
  P  P88  1  0.010832  0.448821  0.322350  1
  P  P89  1  0.007253  0.134226  0.281517  1
  P  P90  1  0.012496  0.765639  0.365117  1
  P  P91  1  0.250062  0.354900  0.342426  1
  P  P92  1  0.250062  0.039733  0.300163  1
  P  P93  1  0.250062  0.724397  0.259272  1
  P  P94  1  0.750062  0.362219  0.343033  1
  P  P95  1  0.750062  0.046484  0.301177  1
  P  P96  1  0.750062  0.730258  0.260022  1
  P  P97  1  0.487903  0.213287  0.489689  1
  P  P98  1  0.487872  0.897426  0.448011  1
  P  P99  1  0.487901  0.580889  0.406162  1
  P  P100  1  0.750062  0.151532  0.449406  1
  P  P101  1  0.750062  0.835899  0.407822  1
  P  P102  1  0.750062  0.467759  0.491150  1
  P  P103  1  0.987622  0.424996  0.385448  1
  P  P104  1  0.987916  0.056959  0.469051  1
  P  P105  1  0.988002  0.741106  0.427498  1
  P  P106  1  0.250062  0.460158  0.490132  1
  P  P107  1  0.250062  0.143814  0.448363  1
  P  P108  1  0.250062  0.828397  0.406897  1
  P  P109  1  0.512503  0.424996  0.385448  1
  P  P110  1  0.512208  0.056959  0.469051  1
  P  P111  1  0.512122  0.741106  0.427498  1
  P  P112  1  0.012222  0.213287  0.489689  1
  P  P113  1  0.012252  0.897426  0.448011  1
  P  P114  1  0.012224  0.580889  0.406162  1
  P  P115  1  0.250062  0.486579  0.425827  1
  P  P116  1  0.250062  0.170321  0.384447  1
  P  P117  1  0.250062  0.802770  0.467706  1
  P  P118  1  0.750062  0.178213  0.385606  1
  P  P119  1  0.750062  0.810445  0.468704  1
  P  P120  1  0.750062  0.494152  0.426847  1
  P  P121  1  0.487872  0.397426  0.448011  1
  P  P122  1  0.487901  0.080889  0.406162  1
  P  P123  1  0.487903  0.713287  0.489689  1
  P  P124  1  0.750062  0.335899  0.407822  1
  P  P125  1  0.750062  0.967759  0.491150  1
  P  P126  1  0.750062  0.651532  0.449406  1
  P  P127  1  0.988002  0.241106  0.427498  1
  P  P128  1  0.987622  0.924996  0.385448  1
  P  P129  1  0.987916  0.556959  0.469051  1
  P  P130  1  0.250062  0.328397  0.406897  1
  P  P131  1  0.250062  0.960158  0.490132  1
  P  P132  1  0.250062  0.643814  0.448363  1
  P  P133  1  0.512122  0.241106  0.427498  1
  P  P134  1  0.512503  0.924996  0.385448  1
  P  P135  1  0.512208  0.556959  0.469051  1
  P  P136  1  0.012252  0.397426  0.448011  1
  P  P137  1  0.012224  0.080889  0.406162  1
  P  P138  1  0.012222  0.713287  0.489689  1
  P  P139  1  0.250062  0.302770  0.467706  1
  P  P140  1  0.250062  0.986579  0.425827  1
  P  P141  1  0.250062  0.670321  0.384447  1
  P  P142  1  0.750062  0.310445  0.468704  1
  P  P143  1  0.750062  0.994152  0.426847  1
  P  P144  1  0.750062  0.678213  0.385606  1
  P  P145  1  0.487622  0.161496  0.615018  1
  P  P146  1  0.488002  0.845386  0.572967  1
  P  P147  1  0.487916  0.529533  0.531415  1
  P  P148  1  0.750062  0.099913  0.574638  1
  P  P149  1  0.750062  0.783722  0.532759  1
  P  P150  1  0.750062  0.416171  0.616018  1
  P  P151  1  0.987903  0.373204  0.510776  1
  P  P152  1  0.987901  0.005603  0.594303  1
  P  P153  1  0.987872  0.689066  0.552454  1
  P  P154  1  0.250062  0.408279  0.614860  1
  P  P155  1  0.250062  0.092340  0.573619  1
  P  P156  1  0.250062  0.776047  0.531761  1
  P  P157  1  0.512222  0.373204  0.510776  1
  P  P158  1  0.512224  0.005603  0.594303  1
  P  P159  1  0.512252  0.689066  0.552454  1
  P  P160  1  0.012503  0.161496  0.615018  1
  P  P161  1  0.012122  0.845386  0.572967  1
  P  P162  1  0.012208  0.529533  0.531415  1
  P  P163  1  0.250062  0.434960  0.551059  1
  P  P164  1  0.250062  0.118732  0.509315  1
  P  P165  1  0.250062  0.750593  0.592643  1
  P  P166  1  0.750062  0.126334  0.510333  1
  P  P167  1  0.750062  0.758095  0.593568  1
  P  P168  1  0.750062  0.442677  0.552102  1
  P  P169  1  0.488002  0.345386  0.572967  1
  P  P170  1  0.487916  0.029533  0.531415  1
  P  P171  1  0.487622  0.661496  0.615018  1
  P  P172  1  0.750062  0.283722  0.532759  1
  P  P173  1  0.750062  0.916171  0.616018  1
  P  P174  1  0.750062  0.599913  0.574638  1
  P  P175  1  0.987872  0.189066  0.552454  1
  P  P176  1  0.987903  0.873204  0.510776  1
  P  P177  1  0.987901  0.505603  0.594303  1
  P  P178  1  0.250062  0.276047  0.531761  1
  P  P179  1  0.250062  0.908279  0.614860  1
  P  P180  1  0.250062  0.592340  0.573619  1
  P  P181  1  0.512252  0.189066  0.552454  1
  P  P182  1  0.512222  0.873204  0.510776  1
  P  P183  1  0.512224  0.505603  0.594303  1
  P  P184  1  0.012122  0.345386  0.572967  1
  P  P185  1  0.012208  0.029533  0.531415  1
  P  P186  1  0.012503  0.661496  0.615018  1
  P  P187  1  0.250062  0.250593  0.592643  1
  P  P188  1  0.250062  0.934960  0.551059  1
  P  P189  1  0.250062  0.618732  0.509315  1
  P  P190  1  0.750062  0.258095  0.593568  1
  P  P191  1  0.750062  0.942677  0.552102  1
  P  P192  1  0.750062  0.626334  0.510333  1
  P  P193  1  0.490483  0.109397  0.739574  1
  P  P194  1  0.489390  0.794362  0.697499  1
  P  P195  1  0.487557  0.478145  0.656413  1
  P  P196  1  0.750062  0.046759  0.700302  1
  P  P197  1  0.750062  0.731592  0.658039  1
  P  P198  1  0.750062  0.362095  0.741193  1
  P  P199  1  0.987628  0.320853  0.635349  1
  P  P200  1  0.992871  0.952266  0.718948  1
  P  P201  1  0.989292  0.637671  0.678116  1
  P  P202  1  0.250062  0.356234  0.740443  1
  P  P203  1  0.250062  0.040008  0.699289  1
  P  P204  1  0.250062  0.724273  0.657432  1
  P  P205  1  0.512496  0.320853  0.635349  1
  P  P206  1  0.507253  0.952266  0.718948  1
  P  P207  1  0.510832  0.637671  0.678116  1
  P  P208  1  0.009642  0.109397  0.739574  1
  P  P209  1  0.010734  0.794362  0.697499  1
  P  P210  1  0.012568  0.478145  0.656413  1
  P  P211  1  0.250062  0.382628  0.674677  1
  P  P212  1  0.250062  0.067392  0.634779  1
  P  P213  1  0.250062  0.699193  0.718309  1
  P  P214  1  0.750062  0.074990  0.635881  1
  P  P215  1  0.750062  0.709151  0.719407  1
  P  P216  1  0.750062  0.391677  0.676254  1
  P  P217  1  0.489390  0.294362  0.697499  1
  P  P218  1  0.487557  0.978145  0.656413  1
  P  P219  1  0.490483  0.609397  0.739574  1
  P  P220  1  0.750062  0.231592  0.658039  1
  P  P221  1  0.750062  0.862095  0.741193  1
  P  P222  1  0.750062  0.546759  0.700302  1
  P  P223  1  0.989292  0.137671  0.678116  1
  P  P224  1  0.987628  0.820853  0.635349  1
  P  P225  1  0.992871  0.452266  0.718948  1
  P  P226  1  0.250062  0.224273  0.657432  1
  P  P227  1  0.250062  0.856234  0.740443  1
  P  P228  1  0.250062  0.540008  0.699289  1
  P  P229  1  0.510832  0.137671  0.678116  1
  P  P230  1  0.512496  0.820853  0.635349  1
  P  P231  1  0.507253  0.452266  0.718948  1
  P  P232  1  0.010734  0.294362  0.697499  1
  P  P233  1  0.012568  0.978145  0.656413  1
  P  P234  1  0.009642  0.609397  0.739574  1
  P  P235  1  0.250062  0.199193  0.718309  1
  P  P236  1  0.250062  0.882628  0.674677  1
  P  P237  1  0.250062  0.567392  0.634779  1
  P  P238  1  0.750062  0.209151  0.719407  1
  P  P239  1  0.750062  0.891677  0.676254  1
  P  P240  1  0.750062  0.574990  0.635881  1
