# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74914316
_cell_length_b   44.71443694
_cell_length_c   51.40253839
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.40775362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   15512.0778344
_cell_formula_units_Z   72
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  0.444882  0.292209  0.312234  1
  Fe  Fe2  1  0.477400  0.657244  0.373530  1
  Fe  Fe3  1  0.449376  0.931068  0.267721  1
  Fe  Fe4  1  0.996070  0.186653  0.268661  1
  Fe  Fe5  1  0.977381  0.545858  0.314134  1
  Fe  Fe6  1  0.966613  0.908420  0.371696  1
  Fe  Fe7  1  0.721173  0.282359  0.373993  1
  Fe  Fe8  1  0.745951  0.549764  0.268335  1
  Fe  Fe9  1  0.694134  0.918363  0.312887  1
  Fe  Fe10  1  0.213610  0.239254  0.292375  1
  Fe  Fe11  1  0.207108  0.597888  0.340022  1
  Fe  Fe12  1  0.195563  0.960544  0.396765  1
  Fe  Fe13  1  0.949376  0.431068  0.267721  1
  Fe  Fe14  1  0.944882  0.792209  0.312234  1
  Fe  Fe15  1  0.977400  0.157244  0.373530  1
  Fe  Fe16  1  0.466613  0.408420  0.371696  1
  Fe  Fe17  1  0.496070  0.686653  0.268661  1
  Fe  Fe18  1  0.477381  0.045858  0.314134  1
  Fe  Fe19  1  0.194134  0.418363  0.312887  1
  Fe  Fe20  1  0.221173  0.782359  0.373993  1
  Fe  Fe21  1  0.245951  0.049764  0.268335  1
  Fe  Fe22  1  0.695563  0.460544  0.396765  1
  Fe  Fe23  1  0.713610  0.739254  0.292375  1
  Fe  Fe24  1  0.707108  0.097888  0.340022  1
  Fe  Fe25  1  0.460751  0.383998  0.484488  1
  Fe  Fe26  1  0.458979  0.746982  0.540208  1
  Fe  Fe27  1  0.468240  0.020528  0.428173  1
  Fe  Fe28  1  0.958164  0.272842  0.425218  1
  Fe  Fe29  1  0.965510  0.635089  0.483529  1
  Fe  Fe30  1  0.959824  0.998561  0.539306  1
  Fe  Fe31  1  0.685354  0.372531  0.534687  1
  Fe  Fe32  1  0.697476  0.645635  0.423778  1
  Fe  Fe33  1  0.690961  0.009637  0.478908  1
  Fe  Fe34  1  0.189952  0.323839  0.452846  1
  Fe  Fe35  1  0.188864  0.686959  0.508966  1
  Fe  Fe36  1  0.186224  0.050237  0.564471  1
  Fe  Fe37  1  0.968240  0.520528  0.428173  1
  Fe  Fe38  1  0.960751  0.883998  0.484488  1
  Fe  Fe39  1  0.958979  0.246982  0.540208  1
  Fe  Fe40  1  0.459824  0.498561  0.539306  1
  Fe  Fe41  1  0.458164  0.772842  0.425218  1
  Fe  Fe42  1  0.465510  0.135089  0.483529  1
  Fe  Fe43  1  0.190961  0.509637  0.478908  1
  Fe  Fe44  1  0.185354  0.872531  0.534687  1
  Fe  Fe45  1  0.197476  0.145635  0.423778  1
  Fe  Fe46  1  0.686224  0.550237  0.564471  1
  Fe  Fe47  1  0.689952  0.823839  0.452846  1
  Fe  Fe48  1  0.688864  0.186959  0.508966  1
  Fe  Fe49  1  0.451139  0.473127  0.651758  1
  Fe  Fe50  1  0.435449  0.837182  0.705110  1
  Fe  Fe51  1  0.456447  0.110131  0.595840  1
  Fe  Fe52  1  0.953793  0.361427  0.595063  1
  Fe  Fe53  1  0.955119  0.724886  0.652021  1
  Fe  Fe54  1  0.951952  0.087189  0.703152  1
  Fe  Fe55  1  0.677170  0.462410  0.702119  1
  Fe  Fe56  1  0.682947  0.735810  0.590818  1
  Fe  Fe57  1  0.686062  0.098620  0.646082  1
  Fe  Fe58  1  0.178414  0.413366  0.620219  1
  Fe  Fe59  1  0.175520  0.776691  0.676764  1
  Fe  Fe60  1  0.181125  0.137426  0.724194  1
  Fe  Fe61  1  0.956447  0.610131  0.595840  1
  Fe  Fe62  1  0.951139  0.973127  0.651758  1
  Fe  Fe63  1  0.935449  0.337182  0.705110  1
  Fe  Fe64  1  0.451952  0.587189  0.703152  1
  Fe  Fe65  1  0.453793  0.861427  0.595063  1
  Fe  Fe66  1  0.455119  0.224886  0.652021  1
  Fe  Fe67  1  0.186062  0.598620  0.646082  1
  Fe  Fe68  1  0.177170  0.962410  0.702119  1
  Fe  Fe69  1  0.182947  0.235810  0.590818  1
  Fe  Fe70  1  0.681125  0.637426  0.724194  1
  Fe  Fe71  1  0.678414  0.913366  0.620219  1
  Fe  Fe72  1  0.675520  0.276691  0.676764  1
  P  P73  1  0.956633  0.316206  0.356598  1
  P  P74  1  0.956754  0.678699  0.413048  1
  P  P75  1  0.950271  0.952380  0.299744  1
  P  P76  1  0.474536  0.205578  0.301330  1
  P  P77  1  0.461972  0.566876  0.354951  1
  P  P78  1  0.450261  0.929363  0.411490  1
  P  P79  1  0.962827  0.246323  0.384449  1
  P  P80  1  0.001591  0.519421  0.271182  1
  P  P81  1  0.951075  0.884085  0.327596  1
  P  P82  1  0.968561  0.204875  0.307688  1
  P  P83  1  0.966227  0.565618  0.357092  1
  P  P84  1  0.961582  0.838910  0.247818  1
  P  P85  1  0.467915  0.248742  0.385773  1
  P  P86  1  0.493898  0.519410  0.273320  1
  P  P87  1  0.457329  0.884822  0.329034  1
  P  P88  1  0.736999  0.150959  0.272642  1
  P  P89  1  0.718901  0.510816  0.329937  1
  P  P90  1  0.708551  0.873587  0.384027  1
  P  P91  1  0.752689  0.462505  0.244968  1
  P  P92  1  0.704310  0.827688  0.299944  1
  P  P93  1  0.714379  0.190282  0.358611  1
  P  P94  1  0.453431  0.269824  0.270076  1
  P  P95  1  0.467555  0.635385  0.328942  1
  P  P96  1  0.457224  0.997492  0.384018  1
  P  P97  1  0.212449  0.261358  0.332216  1
  P  P98  1  0.215748  0.622611  0.384742  1
  P  P99  1  0.207242  0.896231  0.273848  1
  P  P100  1  0.211662  0.553968  0.412011  1
  P  P101  1  0.204870  0.826542  0.300689  1
  P  P102  1  0.225757  0.190562  0.358015  1
  P  P103  1  0.960051  0.269709  0.274624  1
  P  P104  1  0.977233  0.635100  0.328154  1
  P  P105  1  0.961791  0.997079  0.384941  1
  P  P106  1  0.226918  0.151683  0.272286  1
  P  P107  1  0.222658  0.511252  0.328233  1
  P  P108  1  0.206632  0.873203  0.384419  1
  P  P109  1  0.704695  0.306363  0.414046  1
  P  P110  1  0.724139  0.581029  0.301318  1
  P  P111  1  0.708393  0.941631  0.356989  1
  P  P112  1  0.465175  0.317505  0.356172  1
  P  P113  1  0.458316  0.681290  0.413477  1
  P  P114  1  0.456165  0.956909  0.303771  1
  P  P115  1  0.706716  0.260429  0.329364  1
  P  P116  1  0.718692  0.621219  0.382913  1
  P  P117  1  0.701206  0.896616  0.269837  1
  P  P118  1  0.209725  0.304565  0.410243  1
  P  P119  1  0.230168  0.579154  0.296578  1
  P  P120  1  0.203625  0.940559  0.354571  1
  P  P121  1  0.450271  0.452380  0.299744  1
  P  P122  1  0.456633  0.816206  0.356598  1
  P  P123  1  0.456754  0.178699  0.413048  1
  P  P124  1  0.950261  0.429363  0.411490  1
  P  P125  1  0.974536  0.705578  0.301330  1
  P  P126  1  0.961972  0.066876  0.354951  1
  P  P127  1  0.451075  0.384085  0.327596  1
  P  P128  1  0.462827  0.746323  0.384449  1
  P  P129  1  0.501591  0.019421  0.271182  1
  P  P130  1  0.461582  0.338910  0.247818  1
  P  P131  1  0.468561  0.704875  0.307688  1
  P  P132  1  0.466227  0.065618  0.357092  1
  P  P133  1  0.957329  0.384822  0.329034  1
  P  P134  1  0.967915  0.748742  0.385773  1
  P  P135  1  0.993898  0.019410  0.273320  1
  P  P136  1  0.208551  0.373587  0.384027  1
  P  P137  1  0.236999  0.650959  0.272642  1
  P  P138  1  0.218901  0.010816  0.329937  1
  P  P139  1  0.204310  0.327688  0.299944  1
  P  P140  1  0.214379  0.690282  0.358611  1
  P  P141  1  0.252689  0.962505  0.244968  1
  P  P142  1  0.957224  0.497492  0.384018  1
  P  P143  1  0.953431  0.769824  0.270076  1
  P  P144  1  0.967555  0.135385  0.328942  1
  P  P145  1  0.707242  0.396231  0.273848  1
  P  P146  1  0.712449  0.761358  0.332216  1
  P  P147  1  0.715748  0.122611  0.384742  1
  P  P148  1  0.704870  0.326542  0.300689  1
  P  P149  1  0.725757  0.690562  0.358015  1
  P  P150  1  0.711662  0.053968  0.412011  1
  P  P151  1  0.461791  0.497079  0.384941  1
  P  P152  1  0.460051  0.769709  0.274624  1
  P  P153  1  0.477233  0.135100  0.328154  1
  P  P154  1  0.706632  0.373203  0.384419  1
  P  P155  1  0.726918  0.651683  0.272286  1
  P  P156  1  0.722658  0.011252  0.328233  1
  P  P157  1  0.208393  0.441631  0.356989  1
  P  P158  1  0.204695  0.806363  0.414046  1
  P  P159  1  0.224139  0.081029  0.301318  1
  P  P160  1  0.956165  0.456909  0.303771  1
  P  P161  1  0.965175  0.817505  0.356172  1
  P  P162  1  0.958316  0.181290  0.413477  1
  P  P163  1  0.201206  0.396616  0.269837  1
  P  P164  1  0.206716  0.760429  0.329364  1
  P  P165  1  0.218692  0.121219  0.382913  1
  P  P166  1  0.703625  0.440559  0.354571  1
  P  P167  1  0.709725  0.804565  0.410243  1
  P  P168  1  0.730168  0.079154  0.296578  1
  P  P169  1  0.943876  0.405324  0.523410  1
  P  P170  1  0.941524  0.768585  0.579204  1
  P  P171  1  0.950533  0.042091  0.467267  1
  P  P172  1  0.445007  0.292680  0.467568  1
  P  P173  1  0.446737  0.655900  0.523338  1
  P  P174  1  0.442175  0.019146  0.578717  1
  P  P175  1  0.941672  0.337287  0.551444  1
  P  P176  1  0.955518  0.610751  0.439871  1
  P  P177  1  0.947568  0.974425  0.495573  1
  P  P178  1  0.950029  0.291424  0.469531  1
  P  P179  1  0.947811  0.654703  0.525670  1
  P  P180  1  0.952282  0.928346  0.414055  1
  P  P181  1  0.449327  0.338337  0.551477  1
  P  P182  1  0.462010  0.611614  0.439933  1
  P  P183  1  0.454489  0.975451  0.495714  1
  P  P184  1  0.706649  0.237213  0.440468  1
  P  P185  1  0.703200  0.600338  0.495709  1
  P  P186  1  0.697465  0.963644  0.551505  1
  P  P187  1  0.710849  0.553594  0.412121  1
  P  P188  1  0.701821  0.917203  0.468843  1
  P  P189  1  0.699463  0.279956  0.524376  1
  P  P190  1  0.448378  0.361450  0.440311  1
  P  P191  1  0.448883  0.723965  0.496047  1
  P  P192  1  0.445488  0.087363  0.551436  1
  P  P193  1  0.200437  0.349328  0.496631  1
  P  P194  1  0.199012  0.712501  0.552509  1
  P  P195  1  0.206864  0.986100  0.440536  1
  P  P196  1  0.199779  0.643797  0.579455  1
  P  P197  1  0.204243  0.917506  0.468359  1
  P  P198  1  0.200758  0.280459  0.524135  1
  P  P199  1  0.958539  0.360789  0.440779  1
  P  P200  1  0.955405  0.723442  0.496557  1
  P  P201  1  0.953723  0.086816  0.552266  1
  P  P202  1  0.204510  0.236896  0.440282  1
  P  P203  1  0.205709  0.599628  0.495881  1
  P  P204  1  0.199449  0.962978  0.551463  1
  P  P205  1  0.695341  0.394402  0.579794  1
  P  P206  1  0.707063  0.668077  0.468716  1
  P  P207  1  0.702406  0.031532  0.524070  1
  P  P208  1  0.446003  0.408343  0.524253  1
  P  P209  1  0.442709  0.771418  0.580237  1
  P  P210  1  0.452002  0.045052  0.468160  1
  P  P211  1  0.700731  0.347608  0.494449  1
  P  P212  1  0.699267  0.710928  0.550612  1
  P  P213  1  0.705864  0.984436  0.438738  1
  P  P214  1  0.195225  0.393791  0.577513  1
  P  P215  1  0.208214  0.667251  0.466584  1
  P  P216  1  0.201601  0.030891  0.521728  1
  P  P217  1  0.450533  0.542091  0.467267  1
  P  P218  1  0.443876  0.905324  0.523410  1
  P  P219  1  0.441524  0.268585  0.579204  1
  P  P220  1  0.942175  0.519146  0.578717  1
  P  P221  1  0.945007  0.792680  0.467568  1
  P  P222  1  0.946737  0.155900  0.523338  1
  P  P223  1  0.447568  0.474425  0.495573  1
  P  P224  1  0.441672  0.837287  0.551444  1
  P  P225  1  0.455518  0.110751  0.439871  1
  P  P226  1  0.452282  0.428346  0.414055  1
  P  P227  1  0.450029  0.791424  0.469531  1
  P  P228  1  0.447811  0.154703  0.525670  1
  P  P229  1  0.954489  0.475451  0.495714  1
  P  P230  1  0.949327  0.838337  0.551477  1
  P  P231  1  0.962010  0.111614  0.439933  1
  P  P232  1  0.197465  0.463644  0.551505  1
  P  P233  1  0.206649  0.737213  0.440468  1
  P  P234  1  0.203200  0.100338  0.495709  1
  P  P235  1  0.201821  0.417203  0.468843  1
  P  P236  1  0.199463  0.779956  0.524376  1
  P  P237  1  0.210849  0.053594  0.412121  1
  P  P238  1  0.945488  0.587363  0.551436  1
  P  P239  1  0.948378  0.861450  0.440311  1
  P  P240  1  0.948883  0.223965  0.496047  1
  P  P241  1  0.706864  0.486100  0.440536  1
  P  P242  1  0.700437  0.849328  0.496631  1
  P  P243  1  0.699012  0.212501  0.552509  1
  P  P244  1  0.704243  0.417506  0.468359  1
  P  P245  1  0.700758  0.780459  0.524135  1
  P  P246  1  0.699779  0.143797  0.579455  1
  P  P247  1  0.453723  0.586816  0.552266  1
  P  P248  1  0.458539  0.860789  0.440779  1
  P  P249  1  0.455405  0.223442  0.496557  1
  P  P250  1  0.699449  0.462978  0.551463  1
  P  P251  1  0.704510  0.736896  0.440282  1
  P  P252  1  0.705709  0.099628  0.495881  1
  P  P253  1  0.202406  0.531532  0.524070  1
  P  P254  1  0.195341  0.894402  0.579794  1
  P  P255  1  0.207063  0.168077  0.468716  1
  P  P256  1  0.952002  0.545052  0.468160  1
  P  P257  1  0.946003  0.908343  0.524253  1
  P  P258  1  0.942709  0.271418  0.580237  1
  P  P259  1  0.205864  0.484436  0.438738  1
  P  P260  1  0.200731  0.847608  0.494449  1
  P  P261  1  0.199267  0.210928  0.550612  1
  P  P262  1  0.701601  0.530891  0.521728  1
  P  P263  1  0.695225  0.893791  0.577513  1
  P  P264  1  0.708214  0.167251  0.466584  1
  P  P265  1  0.934803  0.495424  0.690112  1
  P  P266  1  0.934013  0.858324  0.743913  1
  P  P267  1  0.938923  0.132021  0.634307  1
  P  P268  1  0.434750  0.382333  0.634595  1
  P  P269  1  0.437049  0.745790  0.690437  1
  P  P270  1  0.400999  0.110337  0.746062  1
  P  P271  1  0.925242  0.426702  0.718748  1
  P  P272  1  0.941560  0.700997  0.607628  1
  P  P273  1  0.937893  0.062450  0.661837  1
  P  P274  1  0.935671  0.381141  0.636893  1
  P  P275  1  0.928703  0.744914  0.693814  1
  P  P276  1  0.944902  0.017949  0.581328  1
  P  P277  1  0.434263  0.427844  0.718470  1
  P  P278  1  0.446475  0.701715  0.607607  1
  P  P279  1  0.450319  0.063940  0.662764  1
  P  P280  1  0.690887  0.326662  0.607471  1
  P  P281  1  0.692404  0.689905  0.663165  1
  P  P282  1  0.694539  0.055490  0.719822  1
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  P  P331  1  0.191958  0.505712  0.635281  1
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  P  P333  1  0.198124  0.143490  0.580203  1
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  P  P339  1  0.685827  0.301182  0.720368  1
  P  P340  1  0.694881  0.506367  0.635227  1
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  P  P349  1  0.189732  0.620409  0.690838  1
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  P  P360  1  0.692569  0.257177  0.633893  1
