# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.27860048
_cell_length_b   16.31932389
_cell_length_c   46.55600574
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.83510518
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe60 P240'
_cell_volume   14268.3789841
_cell_formula_units_Z   60
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  0.089996  0.682793  0.321821  1
  Fe  Fe2  1  0.089996  0.182793  0.321821  1
  Fe  Fe3  1  0.635622  0.798382  0.352677  1
  Fe  Fe4  1  0.635622  0.298382  0.352677  1
  Fe  Fe5  1  0.429518  0.020897  0.338325  1
  Fe  Fe6  1  0.429518  0.520897  0.338325  1
  Fe  Fe7  1  0.877082  0.929436  0.314762  1
  Fe  Fe8  1  0.877082  0.429436  0.314762  1
  Fe  Fe9  1  0.182737  0.759125  0.293426  1
  Fe  Fe10  1  0.182737  0.259125  0.293426  1
  Fe  Fe11  1  0.765639  0.091856  0.330869  1
  Fe  Fe12  1  0.765639  0.591856  0.330869  1
  Fe  Fe13  1  0.229666  0.846071  0.412011  1
  Fe  Fe14  1  0.229666  0.346071  0.412011  1
  Fe  Fe15  1  0.783611  0.954871  0.443364  1
  Fe  Fe16  1  0.783611  0.454871  0.443364  1
  Fe  Fe17  1  0.574129  0.187191  0.432406  1
  Fe  Fe18  1  0.574129  0.687191  0.432406  1
  Fe  Fe19  1  0.028801  0.072309  0.400433  1
  Fe  Fe20  1  0.028801  0.572309  0.400433  1
  Fe  Fe21  1  0.337038  0.941627  0.373475  1
  Fe  Fe22  1  0.337038  0.441627  0.373475  1
  Fe  Fe23  1  0.897860  0.280738  0.423138  1
  Fe  Fe24  1  0.897860  0.780738  0.423138  1
  Fe  Fe25  1  0.373923  0.013682  0.504127  1
  Fe  Fe26  1  0.373923  0.513682  0.504127  1
  Fe  Fe27  1  0.927862  0.122211  0.535339  1
  Fe  Fe28  1  0.927862  0.622211  0.535339  1
  Fe  Fe29  1  0.717457  0.352912  0.524201  1
  Fe  Fe30  1  0.717457  0.852912  0.524201  1
  Fe  Fe31  1  0.172871  0.239944  0.491531  1
  Fe  Fe32  1  0.172871  0.739944  0.491531  1
  Fe  Fe33  1  0.478083  0.108904  0.465934  1
  Fe  Fe34  1  0.478083  0.608904  0.465934  1
  Fe  Fe35  1  0.041054  0.446863  0.513882  1
  Fe  Fe36  1  0.041054  0.946863  0.513882  1
  Fe  Fe37  1  0.516602  0.180345  0.596713  1
  Fe  Fe38  1  0.516602  0.680345  0.596713  1
  Fe  Fe39  1  0.071304  0.290548  0.625532  1
  Fe  Fe40  1  0.071304  0.790548  0.625532  1
  Fe  Fe41  1  0.864552  0.525169  0.615664  1
  Fe  Fe42  1  0.864552  0.025169  0.615664  1
  Fe  Fe43  1  0.317850  0.404937  0.582770  1
  Fe  Fe44  1  0.317850  0.904937  0.582770  1
  Fe  Fe45  1  0.623129  0.275994  0.557304  1
  Fe  Fe46  1  0.623129  0.775994  0.557304  1
  Fe  Fe47  1  0.185218  0.610355  0.604509  1
  Fe  Fe48  1  0.185218  0.110355  0.604509  1
  Fe  Fe49  1  0.663360  0.357075  0.683349  1
  Fe  Fe50  1  0.663360  0.857075  0.683349  1
  Fe  Fe51  1  0.227389  0.438223  0.711441  1
  Fe  Fe52  1  0.227389  0.938223  0.711441  1
  Fe  Fe53  1  0.019671  0.684534  0.698851  1
  Fe  Fe54  1  0.019671  0.184534  0.698851  1
  Fe  Fe55  1  0.455542  0.588896  0.676286  1
  Fe  Fe56  1  0.455542  0.088896  0.676286  1
  Fe  Fe57  1  0.759191  0.431563  0.652973  1
  Fe  Fe58  1  0.759191  0.931563  0.652973  1
  Fe  Fe59  1  0.337544  0.766480  0.692920  1
  Fe  Fe60  1  0.337544  0.266480  0.692920  1
  P  P61  1  0.988527  0.630302  0.315817  1
  P  P62  1  0.988527  0.130302  0.315817  1
  P  P63  1  0.459092  0.733305  0.304891  1
  P  P64  1  0.459092  0.233305  0.304891  1
  P  P65  1  0.532373  0.067650  0.346879  1
  P  P66  1  0.532373  0.567650  0.346879  1
  P  P67  1  0.060050  0.965297  0.361655  1
  P  P68  1  0.060050  0.465297  0.361655  1
  P  P69  1  0.999260  0.827130  0.326641  1
  P  P70  1  0.999260  0.327130  0.326641  1
  P  P71  1  0.437454  0.550275  0.287155  1
  P  P72  1  0.437454  0.050275  0.287155  1
  P  P73  1  0.643896  0.687524  0.313050  1
  P  P74  1  0.643896  0.187524  0.313050  1
  P  P75  1  0.173672  0.746347  0.340340  1
  P  P76  1  0.173672  0.246347  0.340340  1
  P  P77  1  0.884904  0.020417  0.349186  1
  P  P78  1  0.884904  0.520417  0.349186  1
  P  P79  1  0.345238  0.955953  0.322947  1
  P  P80  1  0.345238  0.455953  0.322947  1
  P  P81  1  0.767587  0.994413  0.290707  1
  P  P82  1  0.767587  0.494413  0.290707  1
  P  P83  1  0.277805  0.816751  0.293935  1
  P  P84  1  0.277805  0.316751  0.293935  1
  P  P85  1  0.594823  0.541900  0.282821  1
  P  P86  1  0.594823  0.041900  0.282821  1
  P  P87  1  0.089359  0.715406  0.272071  1
  P  P88  1  0.089359  0.215406  0.272071  1
  P  P89  1  0.710783  0.022860  0.359417  1
  P  P90  1  0.710783  0.522860  0.359417  1
  P  P91  1  0.103230  0.906081  0.291287  1
  P  P92  1  0.103230  0.406081  0.291287  1
  P  P93  1  0.808290  0.679429  0.301471  1
  P  P94  1  0.808290  0.179429  0.301471  1
  P  P95  1  0.264964  0.628053  0.280348  1
  P  P96  1  0.264964  0.128053  0.280348  1
  P  P97  1  0.169410  0.042248  0.318814  1
  P  P98  1  0.169410  0.542248  0.318814  1
  P  P99  1  0.678882  0.872480  0.322157  1
  P  P100  1  0.678882  0.372480  0.322157  1
  P  P101  1  0.349234  0.660100  0.342312  1
  P  P102  1  0.349234  0.160100  0.342312  1
  P  P103  1  0.844217  0.830787  0.339071  1
  P  P104  1  0.844217  0.330787  0.339071  1
  P  P105  1  0.929831  0.985017  0.279159  1
  P  P106  1  0.929831  0.485017  0.279159  1
  P  P107  1  0.518411  0.877752  0.330847  1
  P  P108  1  0.518411  0.377752  0.330847  1
  P  P109  1  0.127512  0.802458  0.408404  1
  P  P110  1  0.127512  0.302458  0.408404  1
  P  P111  1  0.605286  0.903462  0.391379  1
  P  P112  1  0.605286  0.403462  0.391379  1
  P  P113  1  0.676852  0.236569  0.436623  1
  P  P114  1  0.676852  0.736569  0.436623  1
  P  P115  1  0.202580  0.133940  0.452116  1
  P  P116  1  0.202580  0.633940  0.452116  1
  P  P117  1  0.148971  0.994257  0.417719  1
  P  P118  1  0.148971  0.494257  0.417719  1
  P  P119  1  0.587075  0.711861  0.379617  1
  P  P120  1  0.587075  0.211861  0.379617  1
  P  P121  1  0.780663  0.856033  0.404290  1
  P  P122  1  0.780663  0.356033  0.404290  1
  P  P123  1  0.319921  0.910478  0.426012  1
  P  P124  1  0.319921  0.410478  0.426012  1
  P  P125  1  0.022059  0.183557  0.439264  1
  P  P126  1  0.022059  0.683557  0.439264  1
  P  P127  1  0.487716  0.127747  0.415837  1
  P  P128  1  0.487716  0.627747  0.415837  1
  P  P129  1  0.916402  0.167872  0.384405  1
  P  P130  1  0.916402  0.667872  0.384405  1
  P  P131  1  0.427266  0.990206  0.387524  1
  P  P132  1  0.427266  0.490206  0.387524  1
  P  P133  1  0.748170  0.705220  0.368754  1
  P  P134  1  0.748170  0.205220  0.368754  1
  P  P135  1  0.242869  0.878647  0.363204  1
  P  P136  1  0.242869  0.378647  0.363204  1
  P  P137  1  0.856369  0.190253  0.450609  1
  P  P138  1  0.856369  0.690253  0.450609  1
  P  P139  1  0.248726  0.075154  0.380277  1
  P  P140  1  0.248726  0.575154  0.380277  1
  P  P141  1  0.950035  0.851318  0.393872  1
  P  P142  1  0.950035  0.351318  0.393872  1
  P  P143  1  0.416661  0.795733  0.371500  1
  P  P144  1  0.416661  0.295733  0.371500  1
  P  P145  1  0.312971  0.209663  0.410454  1
  P  P146  1  0.312971  0.709663  0.410454  1
  P  P147  1  0.819176  0.041253  0.414170  1
  P  P148  1  0.819176  0.541253  0.414170  1
  P  P149  1  0.494342  0.827360  0.433814  1
  P  P150  1  0.494342  0.327360  0.433814  1
  P  P151  1  0.987841  0.996443  0.430513  1
  P  P152  1  0.987841  0.496443  0.430513  1
  P  P153  1  0.074632  0.161226  0.372786  1
  P  P154  1  0.074632  0.661226  0.372786  1
  P  P155  1  0.660526  0.043337  0.426093  1
  P  P156  1  0.660526  0.543337  0.426093  1
  P  P157  1  0.273153  0.968582  0.498104  1
  P  P158  1  0.273153  0.468582  0.498104  1
  P  P159  1  0.749682  0.069889  0.482562  1
  P  P160  1  0.749682  0.569889  0.482562  1
  P  P161  1  0.819296  0.404599  0.529387  1
  P  P162  1  0.819296  0.904599  0.529387  1
  P  P163  1  0.346193  0.301479  0.543506  1
  P  P164  1  0.346193  0.801479  0.543506  1
  P  P165  1  0.292333  0.161964  0.508931  1
  P  P166  1  0.292333  0.661964  0.508931  1
  P  P167  1  0.731141  0.876935  0.472151  1
  P  P168  1  0.731141  0.376935  0.472151  1
  P  P169  1  0.924962  0.024089  0.496197  1
  P  P170  1  0.924962  0.524089  0.496197  1
  P  P171  1  0.463059  0.079052  0.518115  1
  P  P172  1  0.463059  0.579052  0.518115  1
  P  P173  1  0.165276  0.350569  0.530160  1
  P  P174  1  0.165276  0.850569  0.530160  1
  P  P175  1  0.632113  0.293304  0.507021  1
  P  P176  1  0.632113  0.793304  0.507021  1
  P  P177  1  0.059767  0.331224  0.475582  1
  P  P178  1  0.059767  0.831224  0.475582  1
  P  P179  1  0.569351  0.158948  0.480275  1
  P  P180  1  0.569351  0.658948  0.480275  1
  P  P181  1  0.891662  0.874819  0.462462  1
  P  P182  1  0.891662  0.374819  0.462462  1
  P  P183  1  0.384710  0.045644  0.455592  1
  P  P184  1  0.384710  0.545644  0.455592  1
  P  P185  1  0.999735  0.357728  0.542072  1
  P  P186  1  0.999735  0.857728  0.542072  1
  P  P187  1  0.391229  0.245732  0.472049  1
  P  P188  1  0.391229  0.745732  0.472049  1
  P  P189  1  0.093339  0.017359  0.484519  1
  P  P190  1  0.093339  0.517359  0.484519  1
  P  P191  1  0.559160  0.962767  0.462697  1
  P  P192  1  0.559160  0.462767  0.462697  1
  P  P193  1  0.458164  0.377539  0.502325  1
  P  P194  1  0.458164  0.877539  0.502325  1
  P  P195  1  0.963522  0.208414  0.506219  1
  P  P196  1  0.963522  0.708414  0.506219  1
  P  P197  1  0.637445  0.994112  0.524963  1
  P  P198  1  0.637445  0.494112  0.524963  1
  P  P199  1  0.133113  0.161371  0.521322  1
  P  P200  1  0.133113  0.661371  0.521322  1
  P  P201  1  0.218921  0.329232  0.463855  1
  P  P202  1  0.218921  0.829232  0.463855  1
  P  P203  1  0.805119  0.209986  0.517578  1
  P  P204  1  0.805119  0.709986  0.517578  1
  P  P205  1  0.416742  0.136601  0.589693  1
  P  P206  1  0.416742  0.636601  0.589693  1
  P  P207  1  0.893595  0.236258  0.574737  1
  P  P208  1  0.893595  0.736258  0.574737  1
  P  P209  1  0.964429  0.570177  0.620192  1
  P  P210  1  0.964429  0.070177  0.620192  1
  P  P211  1  0.486837  0.474035  0.636418  1
  P  P212  1  0.486837  0.974035  0.636418  1
  P  P213  1  0.436524  0.328791  0.601094  1
  P  P214  1  0.436524  0.828791  0.601094  1
  P  P215  1  0.874321  0.044633  0.563681  1
  P  P216  1  0.874321  0.544633  0.563681  1
  P  P217  1  0.069781  0.190811  0.586412  1
  P  P218  1  0.069781  0.690811  0.586412  1
  P  P219  1  0.606886  0.245300  0.609323  1
  P  P220  1  0.606886  0.745300  0.609323  1
  P  P221  1  0.308089  0.516142  0.621213  1
  P  P222  1  0.308089  0.016142  0.621213  1
  P  P223  1  0.776301  0.461360  0.601143  1
  P  P224  1  0.776301  0.961360  0.601143  1
  P  P225  1  0.203748  0.497041  0.566803  1
  P  P226  1  0.203748  0.997041  0.566803  1
  P  P227  1  0.714397  0.325978  0.571732  1
  P  P228  1  0.714397  0.825978  0.571732  1
  P  P229  1  0.036065  0.041200  0.553369  1
  P  P230  1  0.036065  0.541200  0.553369  1
  P  P231  1  0.528251  0.214137  0.547710  1
  P  P232  1  0.528251  0.714137  0.547710  1
  P  P233  1  0.142053  0.524160  0.635535  1
  P  P234  1  0.142053  0.024160  0.635535  1
  P  P235  1  0.535303  0.412999  0.564165  1
  P  P236  1  0.535303  0.912999  0.564165  1
  P  P237  1  0.237851  0.184856  0.575626  1
  P  P238  1  0.237851  0.684856  0.575626  1
  P  P239  1  0.703339  0.128844  0.554360  1
  P  P240  1  0.703339  0.628844  0.554360  1
  P  P241  1  0.601439  0.545564  0.593250  1
  P  P242  1  0.601439  0.045564  0.593250  1
  P  P243  1  0.107046  0.375989  0.597042  1
  P  P244  1  0.107046  0.875989  0.597042  1
  P  P245  1  0.780848  0.162647  0.617378  1
  P  P246  1  0.780848  0.662647  0.617378  1
  P  P247  1  0.275122  0.330947  0.613171  1
  P  P248  1  0.275122  0.830947  0.613171  1
  P  P249  1  0.362384  0.496122  0.555282  1
  P  P250  1  0.362384  0.996122  0.555282  1
  P  P251  1  0.946818  0.377939  0.609415  1
  P  P252  1  0.946818  0.877939  0.609415  1
  P  P253  1  0.562720  0.306746  0.680187  1
  P  P254  1  0.562720  0.806746  0.680187  1
  P  P255  1  0.037667  0.402579  0.664973  1
  P  P256  1  0.037667  0.902579  0.664973  1
  P  P257  1  0.115033  0.732031  0.709208  1
  P  P258  1  0.115033  0.232031  0.709208  1
  P  P259  1  0.637926  0.637645  0.720439  1
  P  P260  1  0.637926  0.137645  0.720439  1
  P  P261  1  0.577298  0.497361  0.695307  1
  P  P262  1  0.577298  0.997361  0.695307  1
  P  P263  1  0.018861  0.209789  0.652364  1
  P  P264  1  0.018861  0.709789  0.652364  1
  P  P265  1  0.212566  0.350575  0.678533  1
  P  P266  1  0.212566  0.850575  0.678533  1
  P  P267  1  0.749972  0.413251  0.704014  1
  P  P268  1  0.749972  0.913251  0.704014  1
  P  P269  1  0.453588  0.693717  0.715398  1
  P  P270  1  0.453588  0.193717  0.715398  1
  P  P271  1  0.928569  0.621801  0.691178  1
  P  P272  1  0.928569  0.121801  0.691178  1
  P  P273  1  0.347252  0.663684  0.656578  1
  P  P274  1  0.347252  0.163684  0.656578  1
  P  P275  1  0.853330  0.492672  0.664591  1
  P  P276  1  0.853330  0.992672  0.664591  1
  P  P277  1  0.179629  0.205925  0.643276  1
  P  P278  1  0.179629  0.705925  0.643276  1
  P  P279  1  0.666692  0.383861  0.637267  1
  P  P280  1  0.666692  0.883861  0.637267  1
  P  P281  1  0.290470  0.692338  0.725341  1
  P  P282  1  0.290470  0.192338  0.725341  1
  P  P283  1  0.679573  0.577792  0.654968  1
  P  P284  1  0.679573  0.077792  0.654968  1
  P  P285  1  0.384757  0.349766  0.666580  1
  P  P286  1  0.384757  0.849766  0.666580  1
  P  P287  1  0.847234  0.294748  0.647171  1
  P  P288  1  0.847234  0.794748  0.647171  1
  P  P289  1  0.744611  0.716067  0.686292  1
  P  P290  1  0.744611  0.216067  0.686292  1
  P  P291  1  0.252878  0.539385  0.687909  1
  P  P292  1  0.252878  0.039385  0.687909  1
  P  P293  1  0.932900  0.320664  0.708400  1
  P  P294  1  0.932900  0.820664  0.708400  1
  P  P295  1  0.418967  0.500926  0.705083  1
  P  P296  1  0.418967  0.000926  0.705083  1
  P  P297  1  0.510144  0.660817  0.648060  1
  P  P298  1  0.510144  0.160817  0.648060  1
  P  P299  1  0.098432  0.535127  0.708114  1
  P  P300  1  0.098432  0.035127  0.708114  1
