# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.69883566
_cell_length_b   24.39565017
_cell_length_c   53.83995899
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.34993286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe120 P480'
_cell_volume   29492.966308
_cell_formula_units_Z   120
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  0.102470  0.332801  0.328184  1
  Fe  Fe2  1  0.602470  0.332801  0.328184  1
  Fe  Fe3  1  0.146704  0.704056  0.298925  1
  Fe  Fe4  1  0.060910  0.960089  0.357736  1
  Fe  Fe5  1  0.646704  0.704056  0.298925  1
  Fe  Fe6  1  0.560910  0.960089  0.357736  1
  Fe  Fe7  1  0.220034  0.486953  0.337202  1
  Fe  Fe8  1  0.720034  0.486953  0.337202  1
  Fe  Fe9  1  0.263151  0.857318  0.307795  1
  Fe  Fe10  1  0.311728  0.233007  0.278105  1
  Fe  Fe11  1  0.763151  0.857318  0.307795  1
  Fe  Fe12  1  0.811728  0.233007  0.278105  1
  Fe  Fe13  1  0.352470  0.332801  0.328184  1
  Fe  Fe14  1  0.852470  0.332801  0.328184  1
  Fe  Fe15  1  0.396704  0.704056  0.298925  1
  Fe  Fe16  1  0.310910  0.960089  0.357736  1
  Fe  Fe17  1  0.896704  0.704056  0.298925  1
  Fe  Fe18  1  0.810910  0.960089  0.357736  1
  Fe  Fe19  1  0.470034  0.486953  0.337202  1
  Fe  Fe20  1  0.970034  0.486953  0.337202  1
  Fe  Fe21  1  0.513151  0.857318  0.307795  1
  Fe  Fe22  1  0.561728  0.233007  0.278105  1
  Fe  Fe23  1  0.013151  0.857318  0.307795  1
  Fe  Fe24  1  0.061728  0.233007  0.278105  1
  Fe  Fe25  1  0.976659  0.215722  0.419529  1
  Fe  Fe26  1  0.476659  0.215722  0.419529  1
  Fe  Fe27  1  0.018562  0.587612  0.389481  1
  Fe  Fe28  1  0.934229  0.844200  0.449977  1
  Fe  Fe29  1  0.518562  0.587612  0.389481  1
  Fe  Fe30  1  0.434229  0.844200  0.449977  1
  Fe  Fe31  1  0.093687  0.371769  0.427978  1
  Fe  Fe32  1  0.593687  0.371769  0.427978  1
  Fe  Fe33  1  0.135952  0.743393  0.397957  1
  Fe  Fe34  1  0.178319  0.115772  0.367267  1
  Fe  Fe35  1  0.635952  0.743393  0.397957  1
  Fe  Fe36  1  0.678319  0.115772  0.367267  1
  Fe  Fe37  1  0.226659  0.215722  0.419529  1
  Fe  Fe38  1  0.726659  0.215722  0.419529  1
  Fe  Fe39  1  0.268562  0.587612  0.389481  1
  Fe  Fe40  1  0.184229  0.844200  0.449977  1
  Fe  Fe41  1  0.768562  0.587612  0.389481  1
  Fe  Fe42  1  0.684229  0.844200  0.449977  1
  Fe  Fe43  1  0.343687  0.371769  0.427978  1
  Fe  Fe44  1  0.843687  0.371769  0.427978  1
  Fe  Fe45  1  0.385952  0.743393  0.397957  1
  Fe  Fe46  1  0.428319  0.115772  0.367267  1
  Fe  Fe47  1  0.885952  0.743393  0.397957  1
  Fe  Fe48  1  0.928319  0.115772  0.367267  1
  Fe  Fe49  1  0.849731  0.100417  0.510633  1
  Fe  Fe50  1  0.349731  0.100417  0.510633  1
  Fe  Fe51  1  0.891924  0.472145  0.480572  1
  Fe  Fe52  1  0.807303  0.728660  0.541343  1
  Fe  Fe53  1  0.391924  0.472145  0.480572  1
  Fe  Fe54  1  0.307303  0.728660  0.541343  1
  Fe  Fe55  1  0.966799  0.256327  0.518968  1
  Fe  Fe56  1  0.466799  0.256327  0.518968  1
  Fe  Fe57  1  0.008992  0.628055  0.488908  1
  Fe  Fe58  1  0.051419  0.999813  0.458197  1
  Fe  Fe59  1  0.508992  0.628055  0.488908  1
  Fe  Fe60  1  0.551419  0.999813  0.458197  1
  Fe  Fe61  1  0.099731  0.100417  0.510633  1
  Fe  Fe62  1  0.599731  0.100417  0.510633  1
  Fe  Fe63  1  0.141924  0.472145  0.480572  1
  Fe  Fe64  1  0.057303  0.728660  0.541343  1
  Fe  Fe65  1  0.641924  0.472145  0.480572  1
  Fe  Fe66  1  0.557303  0.728660  0.541343  1
  Fe  Fe67  1  0.216799  0.256327  0.518968  1
  Fe  Fe68  1  0.716799  0.256327  0.518968  1
  Fe  Fe69  1  0.258992  0.628055  0.488908  1
  Fe  Fe70  1  0.301419  0.999813  0.458197  1
  Fe  Fe71  1  0.758992  0.628055  0.488908  1
  Fe  Fe72  1  0.801419  0.999813  0.458197  1
  Fe  Fe73  1  0.722771  0.985080  0.601583  1
  Fe  Fe74  1  0.222771  0.985080  0.601583  1
  Fe  Fe75  1  0.765035  0.356703  0.571563  1
  Fe  Fe76  1  0.680403  0.612700  0.632273  1
  Fe  Fe77  1  0.265035  0.356703  0.571563  1
  Fe  Fe78  1  0.180403  0.612700  0.632273  1
  Fe  Fe79  1  0.840160  0.140860  0.610059  1
  Fe  Fe80  1  0.340160  0.140860  0.610059  1
  Fe  Fe81  1  0.882064  0.512751  0.580011  1
  Fe  Fe82  1  0.924493  0.884273  0.549563  1
  Fe  Fe83  1  0.382064  0.512751  0.580011  1
  Fe  Fe84  1  0.424493  0.884273  0.549563  1
  Fe  Fe85  1  0.972771  0.985080  0.601583  1
  Fe  Fe86  1  0.472771  0.985080  0.601583  1
  Fe  Fe87  1  0.015035  0.356703  0.571563  1
  Fe  Fe88  1  0.930403  0.612700  0.632273  1
  Fe  Fe89  1  0.515035  0.356703  0.571563  1
  Fe  Fe90  1  0.430403  0.612700  0.632273  1
  Fe  Fe91  1  0.090160  0.140860  0.610059  1
  Fe  Fe92  1  0.590160  0.140860  0.610059  1
  Fe  Fe93  1  0.132064  0.512751  0.580011  1
  Fe  Fe94  1  0.174493  0.884273  0.549563  1
  Fe  Fe95  1  0.632064  0.512751  0.580011  1
  Fe  Fe96  1  0.674493  0.884273  0.549563  1
  Fe  Fe97  1  0.595572  0.871155  0.691745  1
  Fe  Fe98  1  0.095572  0.871155  0.691745  1
  Fe  Fe99  1  0.638688  0.241520  0.662338  1
  Fe  Fe100  1  0.546994  0.495465  0.721436  1
  Fe  Fe101  1  0.138688  0.241520  0.662338  1
  Fe  Fe102  1  0.046994  0.495465  0.721436  1
  Fe  Fe103  1  0.712019  0.024416  0.700615  1
  Fe  Fe104  1  0.212019  0.024416  0.700615  1
  Fe  Fe105  1  0.756252  0.395671  0.671356  1
  Fe  Fe106  1  0.797812  0.768384  0.641804  1
  Fe  Fe107  1  0.256252  0.395671  0.671356  1
  Fe  Fe108  1  0.297812  0.768384  0.641804  1
  Fe  Fe109  1  0.845572  0.871155  0.691745  1
  Fe  Fe110  1  0.345572  0.871155  0.691745  1
  Fe  Fe111  1  0.888688  0.241520  0.662338  1
  Fe  Fe112  1  0.796994  0.495465  0.721436  1
  Fe  Fe113  1  0.388688  0.241520  0.662338  1
  Fe  Fe114  1  0.296994  0.495465  0.721436  1
  Fe  Fe115  1  0.962019  0.024416  0.700615  1
  Fe  Fe116  1  0.462019  0.024416  0.700615  1
  Fe  Fe117  1  0.006252  0.395671  0.671356  1
  Fe  Fe118  1  0.047812  0.768384  0.641804  1
  Fe  Fe119  1  0.506252  0.395671  0.671356  1
  Fe  Fe120  1  0.547812  0.768384  0.641804  1
  P  P121  1  0.379737  0.383633  0.356396  1
  P  P122  1  0.879737  0.383633  0.356396  1
  P  P123  1  0.423305  0.754687  0.327060  1
  P  P124  1  0.466683  0.127522  0.296237  1
  P  P125  1  0.923305  0.754687  0.327060  1
  P  P126  1  0.966683  0.127522  0.296237  1
  P  P127  1  0.585354  0.377217  0.292398  1
  P  P128  1  0.085354  0.377217  0.292398  1
  P  P129  1  0.501613  0.632103  0.353850  1
  P  P130  1  0.544166  0.004565  0.321895  1
  P  P131  1  0.001613  0.632103  0.353850  1
  P  P132  1  0.044166  0.004565  0.321895  1
  P  P133  1  0.231951  0.307637  0.280090  1
  P  P134  1  0.731951  0.307637  0.280090  1
  P  P135  1  0.148892  0.569587  0.340897  1
  P  P136  1  0.191538  0.940105  0.309372  1
  P  P137  1  0.648892  0.569587  0.340897  1
  P  P138  1  0.691538  0.940105  0.309372  1
  P  P139  1  0.051819  0.502144  0.325275  1
  P  P140  1  0.551819  0.502144  0.325275  1
  P  P141  1  0.094685  0.871678  0.294558  1
  P  P142  1  0.010646  0.129426  0.355648  1
  P  P143  1  0.594685  0.871678  0.294558  1
  P  P144  1  0.510646  0.129426  0.355648  1
  P  P145  1  0.193056  0.435926  0.308780  1
  P  P146  1  0.693056  0.435926  0.308780  1
  P  P147  1  0.238839  0.804566  0.279257  1
  P  P148  1  0.152077  0.062948  0.339711  1
  P  P149  1  0.738839  0.804566  0.279257  1
  P  P150  1  0.652077  0.062948  0.339711  1
  P  P151  1  0.466113  0.619453  0.294118  1
  P  P152  1  0.966113  0.619453  0.294118  1
  P  P153  1  0.382169  0.877282  0.354795  1
  P  P154  1  0.424198  0.249455  0.324880  1
  P  P155  1  0.882169  0.877282  0.354795  1
  P  P156  1  0.924198  0.249455  0.324880  1
  P  P157  1  0.113686  0.560568  0.282779  1
  P  P158  1  0.613686  0.560568  0.282779  1
  P  P159  1  0.030705  0.812916  0.343052  1
  P  P160  1  0.072006  0.187145  0.312917  1
  P  P161  1  0.530705  0.812916  0.343052  1
  P  P162  1  0.572006  0.187145  0.312917  1
  P  P163  1  0.520475  0.318225  0.339837  1
  P  P164  1  0.020475  0.318225  0.339837  1
  P  P165  1  0.564707  0.688103  0.309762  1
  P  P166  1  0.611969  0.067536  0.282091  1
  P  P167  1  0.064707  0.688103  0.309762  1
  P  P168  1  0.111969  0.067536  0.282091  1
  P  P169  1  0.129737  0.383633  0.356396  1
  P  P170  1  0.629737  0.383633  0.356396  1
  P  P171  1  0.173305  0.754687  0.327060  1
  P  P172  1  0.216683  0.127522  0.296237  1
  P  P173  1  0.673305  0.754687  0.327060  1
  P  P174  1  0.716683  0.127522  0.296237  1
  P  P175  1  0.335354  0.377217  0.292398  1
  P  P176  1  0.835354  0.377217  0.292398  1
  P  P177  1  0.251613  0.632103  0.353850  1
  P  P178  1  0.294166  0.004565  0.321895  1
  P  P179  1  0.751613  0.632103  0.353850  1
  P  P180  1  0.794166  0.004565  0.321895  1
  P  P181  1  0.481951  0.307637  0.280090  1
  P  P182  1  0.981951  0.307637  0.280090  1
  P  P183  1  0.398892  0.569587  0.340897  1
  P  P184  1  0.441538  0.940105  0.309372  1
  P  P185  1  0.898892  0.569587  0.340897  1
  P  P186  1  0.941538  0.940105  0.309372  1
  P  P187  1  0.301819  0.502144  0.325275  1
  P  P188  1  0.801819  0.502144  0.325275  1
  P  P189  1  0.344685  0.871678  0.294558  1
  P  P190  1  0.260646  0.129426  0.355648  1
  P  P191  1  0.844685  0.871678  0.294558  1
  P  P192  1  0.760646  0.129426  0.355648  1
  P  P193  1  0.443056  0.435926  0.308780  1
  P  P194  1  0.943056  0.435926  0.308780  1
  P  P195  1  0.488839  0.804566  0.279257  1
  P  P196  1  0.402077  0.062948  0.339711  1
  P  P197  1  0.988839  0.804566  0.279257  1
  P  P198  1  0.902077  0.062948  0.339711  1
  P  P199  1  0.216113  0.619453  0.294118  1
  P  P200  1  0.716113  0.619453  0.294118  1
  P  P201  1  0.132169  0.877282  0.354795  1
  P  P202  1  0.174198  0.249455  0.324880  1
  P  P203  1  0.632169  0.877282  0.354795  1
  P  P204  1  0.674198  0.249455  0.324880  1
  P  P205  1  0.363686  0.560568  0.282779  1
  P  P206  1  0.863686  0.560568  0.282779  1
  P  P207  1  0.280705  0.812916  0.343052  1
  P  P208  1  0.322006  0.187145  0.312917  1
  P  P209  1  0.780705  0.812916  0.343052  1
  P  P210  1  0.822006  0.187145  0.312917  1
  P  P211  1  0.270475  0.318225  0.339837  1
  P  P212  1  0.770475  0.318225  0.339837  1
  P  P213  1  0.314707  0.688103  0.309762  1
  P  P214  1  0.361969  0.067536  0.282091  1
  P  P215  1  0.814707  0.688103  0.309762  1
  P  P216  1  0.861969  0.067536  0.282091  1
  P  P217  1  0.253450  0.267609  0.447478  1
  P  P218  1  0.753450  0.267609  0.447478  1
  P  P219  1  0.295501  0.639210  0.417511  1
  P  P220  1  0.337672  0.010699  0.386422  1
  P  P221  1  0.795501  0.639210  0.417511  1
  P  P222  1  0.837672  0.010699  0.386422  1
  P  P223  1  0.459402  0.260961  0.384049  1
  P  P224  1  0.959402  0.260961  0.384049  1
  P  P225  1  0.374634  0.517010  0.445037  1
  P  P226  1  0.417179  0.889071  0.414364  1
  P  P227  1  0.874634  0.517010  0.445037  1
  P  P228  1  0.917179  0.889071  0.414364  1
  P  P229  1  0.107064  0.198328  0.371345  1
  P  P230  1  0.607064  0.198328  0.371345  1
  P  P231  1  0.022483  0.454284  0.432095  1
  P  P232  1  0.065087  0.826314  0.401711  1
  P  P233  1  0.522483  0.454284  0.432095  1
  P  P234  1  0.565087  0.826314  0.401711  1
  P  P235  1  0.925974  0.386255  0.416779  1
  P  P236  1  0.425974  0.386255  0.416779  1
  P  P237  1  0.968295  0.757796  0.386823  1
  P  P238  1  0.883664  0.014369  0.446961  1
  P  P239  1  0.468295  0.757796  0.386823  1
  P  P240  1  0.383664  0.014369  0.446961  1
  P  P241  1  0.066927  0.320074  0.399988  1
  P  P242  1  0.566927  0.320074  0.399988  1
  P  P243  1  0.109247  0.691099  0.370143  1
  P  P244  1  0.024603  0.948149  0.430195  1
  P  P245  1  0.609247  0.691099  0.370143  1
  P  P246  1  0.524603  0.948149  0.430195  1
  P  P247  1  0.339674  0.505087  0.385381  1
  P  P248  1  0.839674  0.505087  0.385381  1
  P  P249  1  0.255412  0.761482  0.446308  1
  P  P250  1  0.297736  0.133024  0.415501  1
  P  P251  1  0.755412  0.761482  0.446308  1
  P  P252  1  0.797736  0.133024  0.415501  1
  P  P253  1  0.987506  0.442404  0.372688  1
  P  P254  1  0.487506  0.442404  0.372688  1
  P  P255  1  0.903096  0.698449  0.433442  1
  P  P256  1  0.945451  0.070218  0.402638  1
  P  P257  1  0.403096  0.698449  0.433442  1
  P  P258  1  0.445451  0.070218  0.402638  1
  P  P259  1  0.394339  0.201336  0.430840  1
  P  P260  1  0.894339  0.201336  0.430840  1
  P  P261  1  0.436362  0.572958  0.400744  1
  P  P262  1  0.479277  0.945031  0.369747  1
  P  P263  1  0.936362  0.572958  0.400744  1
  P  P264  1  0.979277  0.945031  0.369747  1
  P  P265  1  0.003450  0.267609  0.447478  1
  P  P266  1  0.503450  0.267609  0.447478  1
  P  P267  1  0.045501  0.639210  0.417511  1
  P  P268  1  0.087672  0.010699  0.386422  1
  P  P269  1  0.545501  0.639210  0.417511  1
  P  P270  1  0.587672  0.010699  0.386422  1
  P  P271  1  0.209402  0.260961  0.384049  1
  P  P272  1  0.709402  0.260961  0.384049  1
  P  P273  1  0.124634  0.517010  0.445037  1
  P  P274  1  0.167179  0.889071  0.414364  1
  P  P275  1  0.624634  0.517010  0.445037  1
  P  P276  1  0.667179  0.889071  0.414364  1
  P  P277  1  0.357064  0.198328  0.371345  1
  P  P278  1  0.857064  0.198328  0.371345  1
  P  P279  1  0.272483  0.454284  0.432095  1
  P  P280  1  0.315087  0.826314  0.401711  1
  P  P281  1  0.772483  0.454284  0.432095  1
  P  P282  1  0.815087  0.826314  0.401711  1
  P  P283  1  0.175974  0.386255  0.416779  1
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  P  P575  1  0.338247  0.410248  0.659703  1
  P  P576  1  0.246754  0.660937  0.717449  1
  P  P577  1  0.935417  0.973785  0.672480  1
  P  P578  1  0.435417  0.973785  0.672480  1
  P  P579  1  0.978985  0.344839  0.643144  1
  P  P580  1  0.892040  0.600951  0.703304  1
  P  P581  1  0.478985  0.344839  0.643144  1
  P  P582  1  0.392040  0.600951  0.703304  1
  P  P583  1  0.709831  0.158886  0.658643  1
  P  P584  1  0.209831  0.158886  0.658643  1
  P  P585  1  0.626771  0.420835  0.719451  1
  P  P586  1  0.667185  0.788367  0.690168  1
  P  P587  1  0.126771  0.420835  0.719451  1
  P  P588  1  0.167185  0.788367  0.690168  1
  P  P589  1  0.857109  0.096370  0.645691  1
  P  P590  1  0.357109  0.096370  0.645691  1
  P  P591  1  0.773369  0.351255  0.707143  1
  P  P592  1  0.814556  0.723907  0.677645  1
  P  P593  1  0.273369  0.351255  0.707143  1
  P  P594  1  0.314556  0.723907  0.677645  1
  P  P595  1  0.764037  0.856795  0.704982  1
  P  P596  1  0.264037  0.856795  0.704982  1
  P  P597  1  0.806903  0.226329  0.674265  1
  P  P598  1  0.848076  0.599046  0.643892  1
  P  P599  1  0.306903  0.226329  0.674265  1
  P  P600  1  0.348076  0.599046  0.643892  1
