# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.75571122
_cell_length_b   12.90436844
_cell_length_c   57.59192771
_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   11709.4469179
_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  0.596665  0.891251  0.325679  1
  Fe  Fe2  1  0.587534  0.346828  0.282013  1
  Fe  Fe3  1  0.106902  0.794239  0.285284  1
  Fe  Fe4  1  0.103451  0.344348  0.339223  1
  Fe  Fe5  1  0.907031  0.569674  0.310984  1
  Fe  Fe6  1  0.906340  0.036339  0.262105  1
  Fe  Fe7  1  0.413549  0.668865  0.356165  1
  Fe  Fe8  1  0.424336  0.125515  0.299374  1
  Fe  Fe9  1  0.761610  0.716064  0.317785  1
  Fe  Fe10  1  0.768297  0.175981  0.270921  1
  Fe  Fe11  1  0.249469  0.491223  0.347856  1
  Fe  Fe12  1  0.250739  0.941176  0.292108  1
  Fe  Fe13  1  0.603059  0.974668  0.438681  1
  Fe  Fe14  1  0.596548  0.439943  0.385388  1
  Fe  Fe15  1  0.102446  0.894986  0.395133  1
  Fe  Fe16  1  0.101116  0.441523  0.451079  1
  Fe  Fe17  1  0.908002  0.669126  0.423302  1
  Fe  Fe18  1  0.909329  0.120001  0.367604  1
  Fe  Fe19  1  0.407886  0.750224  0.467415  1
  Fe  Fe20  1  0.408575  0.201195  0.410807  1
  Fe  Fe21  1  0.754814  0.822489  0.431039  1
  Fe  Fe22  1  0.759815  0.267554  0.376513  1
  Fe  Fe23  1  0.255590  0.597556  0.459487  1
  Fe  Fe24  1  0.257020  0.049038  0.403010  1
  Fe  Fe25  1  0.597254  0.078622  0.551844  1
  Fe  Fe26  1  0.600806  0.524922  0.495227  1
  Fe  Fe27  1  0.103119  0.989858  0.507907  1
  Fe  Fe28  1  0.100684  0.530089  0.561808  1
  Fe  Fe29  1  0.908566  0.761840  0.535546  1
  Fe  Fe30  1  0.914806  0.205218  0.478109  1
  Fe  Fe31  1  0.415118  0.854974  0.579958  1
  Fe  Fe32  1  0.407186  0.297403  0.523370  1
  Fe  Fe33  1  0.760690  0.908437  0.543343  1
  Fe  Fe34  1  0.748541  0.380353  0.487049  1
  Fe  Fe35  1  0.247965  0.675951  0.569802  1
  Fe  Fe36  1  0.254704  0.143535  0.515741  1
  Fe  Fe37  1  0.607350  0.171425  0.661069  1
  Fe  Fe38  1  0.597662  0.628577  0.608110  1
  Fe  Fe39  1  0.095359  0.073813  0.621021  1
  Fe  Fe40  1  0.086866  0.618413  0.664569  1
  Fe  Fe41  1  0.924056  0.839906  0.647410  1
  Fe  Fe42  1  0.907363  0.303151  0.591037  1
  Fe  Fe43  1  0.406659  0.927766  0.683402  1
  Fe  Fe44  1  0.406622  0.395985  0.635394  1
  Fe  Fe45  1  0.750870  0.024232  0.654382  1
  Fe  Fe46  1  0.759524  0.450304  0.598169  1
  Fe  Fe47  1  0.269214  0.789650  0.675327  1
  Fe  Fe48  1  0.261318  0.248833  0.628865  1
  P  P49  1  0.508430  0.955715  0.357961  1
  P  P50  1  0.499548  0.410051  0.307954  1
  P  P51  1  0.010817  0.724470  0.255198  1
  P  P52  1  0.010650  0.268459  0.308441  1
  P  P53  1  1.003243  0.491716  0.281780  1
  P  P54  1  0.006397  0.044676  0.337411  1
  P  P55  1  0.505220  0.626648  0.279271  1
  P  P56  1  0.506326  0.179552  0.331946  1
  P  P57  1  0.506975  0.744099  0.327412  1
  P  P58  1  0.504555  0.216396  0.268489  1
  P  P59  1  0.009354  0.940113  0.283825  1
  P  P60  1  1.004229  0.486201  0.339172  1
  P  P61  1  0.162027  0.869067  0.319410  1
  P  P62  1  0.160477  0.324353  0.264635  1
  P  P63  1  0.664787  0.804916  0.291263  1
  P  P64  1  0.660679  0.358772  0.350098  1
  P  P65  1  0.346492  0.583586  0.321437  1
  P  P66  1  0.343605  0.044468  0.265694  1
  P  P67  1  0.849948  0.643695  0.346400  1
  P  P68  1  0.858551  0.100510  0.295686  1
  P  P69  1  0.343978  0.464770  0.271361  1
  P  P70  1  0.331674  0.023058  0.324284  1
  P  P71  1  0.827135  0.644571  0.282391  1
  P  P72  1  0.826956  0.207286  0.342639  1
  P  P73  1  0.185474  0.880312  0.256240  1
  P  P74  1  0.184164  0.428426  0.313018  1
  P  P75  1  0.685018  0.797538  0.351874  1
  P  P76  1  0.679513  0.247006  0.300556  1
  P  P77  1  0.163366  0.644346  0.346086  1
  P  P78  1  0.163099  0.096810  0.291609  1
  P  P79  1  0.662848  0.579799  0.320344  1
  P  P80  1  0.670596  0.051625  0.265171  1
  P  P81  1  0.348507  0.806586  0.291976  1
  P  P82  1  0.347075  0.356077  0.350363  1
  P  P83  1  0.848229  0.865651  0.317343  1
  P  P84  1  0.842167  0.320566  0.263191  1
  P  P85  1  0.671008  0.468855  0.268646  1
  P  P86  1  0.687073  0.023323  0.325061  1
  P  P87  1  0.185911  0.646249  0.284535  1
  P  P88  1  0.184516  0.199494  0.342960  1
  P  P89  1  0.831744  0.887812  0.258623  1
  P  P90  1  0.825063  0.422600  0.313856  1
  P  P91  1  0.326959  0.804411  0.352793  1
  P  P92  1  0.326855  0.253525  0.299341  1
  P  P93  1  0.503219  0.519533  0.357285  1
  P  P94  1  0.508401  0.973781  0.296586  1
  P  P95  1  0.006193  0.710426  0.311338  1
  P  P96  1  1.003191  0.158232  0.253148  1
  P  P97  1  0.508309  0.049816  0.470082  1
  P  P98  1  0.504161  0.505319  0.415358  1
  P  P99  1  0.007697  0.818648  0.364411  1
  P  P100  1  0.006857  0.368294  0.420409  1
  P  P101  1  1.002860  0.594197  0.392471  1
  P  P102  1  0.006090  0.139996  0.447802  1
  P  P103  1  0.504630  0.733063  0.387128  1
  P  P104  1  0.502591  0.275606  0.442200  1
  P  P105  1  0.506951  0.831126  0.440179  1
  P  P106  1  0.507262  0.286798  0.384419  1
  P  P107  1  0.007400  0.038429  0.394853  1
  P  P108  1  0.006351  0.587944  0.450718  1
  P  P109  1  0.162462  0.969806  0.430296  1
  P  P110  1  0.158490  0.421703  0.375191  1
  P  P111  1  0.661729  0.898880  0.403544  1
  P  P112  1  0.657505  0.448916  0.459638  1
  P  P113  1  0.349031  0.675310  0.432295  1
  P  P114  1  0.351809  0.125288  0.375743  1
  P  P115  1  0.849667  0.745917  0.458191  1
  P  P116  1  0.852234  0.195380  0.403405  1
  P  P117  1  0.325090  0.575977  0.381165  1
  P  P118  1  0.327839  0.120312  0.437323  1
  P  P119  1  0.827677  0.750616  0.396867  1
  P  P120  1  0.825562  0.297431  0.453841  1
  P  P121  1  0.184963  0.976950  0.369231  1
  P  P122  1  0.183643  0.524896  0.425359  1
  P  P123  1  0.683558  0.895358  0.465445  1
  P  P124  1  0.683907  0.347516  0.409383  1
  P  P125  1  0.163671  0.743816  0.458045  1
  P  P126  1  0.164773  0.195106  0.401928  1
  P  P127  1  0.663614  0.674938  0.433040  1
  P  P128  1  0.664304  0.127645  0.376940  1
  P  P129  1  0.347426  0.900564  0.404846  1
  P  P130  1  0.346237  0.449398  0.460844  1
  P  P131  1  0.846742  0.969754  0.429495  1
  P  P132  1  0.846669  0.421151  0.374953  1
  P  P133  1  0.683677  0.578415  0.381215  1
  P  P134  1  0.682537  0.122036  0.436215  1
  P  P135  1  0.182028  0.748918  0.398156  1
  P  P136  1  0.182923  0.295654  0.453997  1
  P  P137  1  0.829341  0.973941  0.369607  1
  P  P138  1  0.827435  0.522777  0.426585  1
  P  P139  1  0.328505  0.896660  0.464685  1
  P  P140  1  0.327361  0.348856  0.408726  1
  P  P141  1  0.502952  0.605970  0.468282  1
  P  P142  1  0.504769  0.056355  0.411597  1
  P  P143  1  1.004242  0.813961  0.422852  1
  P  P144  1  1.005433  0.264112  0.367152  1
  P  P145  1  0.505154  0.147340  0.582268  1
  P  P146  1  0.505843  0.597724  0.526321  1
  P  P147  1  0.008572  0.915439  0.476498  1
  P  P148  1  1.005522  0.459258  0.531181  1
  P  P149  1  1.003059  0.688888  0.504199  1
  P  P150  1  1.002546  0.231569  0.559775  1
  P  P151  1  0.502974  0.824456  0.498462  1
  P  P152  1  0.503126  0.371327  0.554129  1
  P  P153  1  0.507650  0.928159  0.551233  1
  P  P154  1  0.505079  0.378810  0.495747  1
  P  P155  1  0.007193  0.132847  0.506826  1
  P  P156  1  1.004817  0.675871  0.562252  1
  P  P157  1  0.161290  0.065367  0.543239  1
  P  P158  1  0.159983  0.516769  0.485902  1
  P  P159  1  0.662469  0.995676  0.516789  1
  P  P160  1  0.660588  0.542393  0.572733  1
  P  P161  1  0.348567  0.770119  0.544797  1
  P  P162  1  0.349194  0.220675  0.488160  1
  P  P163  1  0.852188  0.837259  0.571042  1
  P  P164  1  0.847635  0.289647  0.512681  1
  P  P165  1  0.326420  0.668959  0.493744  1
  P  P166  1  0.327078  0.215157  0.549736  1
  P  P167  1  0.828424  0.843474  0.508962  1
  P  P168  1  0.827429  0.386875  0.563871  1
  P  P169  1  0.184361  0.070301  0.481310  1
  P  P170  1  0.181464  0.615971  0.536086  1
  P  P171  1  0.685141  0.988855  0.576517  1
  P  P172  1  0.681437  0.443137  0.521635  1
  P  P173  1  0.163469  0.832671  0.569643  1
  P  P174  1  0.163083  0.289921  0.513341  1
  P  P175  1  0.664087  0.768393  0.544547  1
  P  P176  1  0.663963  0.223514  0.488447  1
  P  P177  1  0.346606  0.996403  0.517103  1
  P  P178  1  0.346442  0.540339  0.571529  1
  P  P179  1  0.846512  0.062804  0.541384  1
  P  P180  1  0.845603  0.518720  0.485471  1
  P  P181  1  0.681610  0.671812  0.492309  1
  P  P182  1  0.682544  0.217847  0.548101  1
  P  P183  1  0.182990  0.843461  0.510299  1
  P  P184  1  0.182353  0.385062  0.565189  1
  P  P185  1  0.828286  0.066834  0.481689  1
  P  P186  1  0.826813  0.614719  0.537531  1
  P  P187  1  0.327918  0.992067  0.576939  1
  P  P188  1  0.326472  0.442798  0.520001  1
  P  P189  1  0.503553  0.702041  0.579228  1
  P  P190  1  0.503653  0.153414  0.523305  1
  P  P191  1  1.005217  0.906733  0.535071  1
  P  P192  1  1.002611  0.359402  0.478198  1
  P  P193  1  0.511058  0.241077  0.691263  1
  P  P194  1  0.508011  0.698084  0.638270  1
  P  P195  1  0.008247  1.008553  0.588567  1
  P  P196  1  0.998577  0.554091  0.638831  1
  P  P197  1  1.005093  0.784666  0.614682  1
  P  P198  1  0.005828  0.337638  0.667642  1
  P  P199  1  0.508940  0.922105  0.609250  1
  P  P200  1  0.503209  0.473315  0.664436  1
  P  P201  1  0.509351  0.025647  0.662407  1
  P  P202  1  0.504784  0.478893  0.607307  1
  P  P203  1  0.005612  0.220509  0.619104  1
  P  P204  1  1.003793  0.748062  0.678288  1
  P  P205  1  0.164636  0.158898  0.655334  1
  P  P206  1  0.157793  0.603397  0.597654  1
  P  P207  1  0.663296  0.096806  0.626906  1
  P  P208  1  0.658866  0.639334  0.680177  1
  P  P209  1  0.357595  0.864792  0.649862  1
  P  P210  1  0.348960  0.321728  0.600251  1
  P  P211  1  0.842598  0.919557  0.680983  1
  P  P212  1  0.847729  0.377470  0.626472  1
  P  P213  1  0.324410  0.756882  0.602637  1
  P  P214  1  0.327021  0.320561  0.664130  1
  P  P215  1  0.831748  0.942213  0.622234  1
  P  P216  1  0.843497  0.501663  0.675464  1
  P  P217  1  0.183711  0.168014  0.594792  1
  P  P218  1  0.178894  0.719216  0.646174  1
  P  P219  1  0.684739  0.084340  0.690243  1
  P  P220  1  0.685437  0.533890  0.631909  1
  P  P221  1  0.170964  0.912984  0.681610  1
  P  P222  1  0.162139  0.383712  0.626608  1
  P  P223  1  0.662676  0.868754  0.654545  1
  P  P224  1  0.662113  0.316747  0.599910  1
  P  P225  1  0.347836  0.099503  0.628866  1
  P  P226  1  0.342656  0.644815  0.683126  1
  P  P227  1  0.849132  0.156296  0.655158  1
  P  P228  1  0.845997  0.603461  0.596248  1
  P  P229  1  0.685218  0.765130  0.603439  1
  P  P230  1  0.685718  0.319173  0.661898  1
  P  P231  1  0.185915  0.941703  0.621248  1
  P  P232  1  0.171092  0.497216  0.677944  1
  P  P233  1  0.827754  0.159958  0.593548  1
  P  P234  1  0.826779  0.711844  0.647070  1
  P  P235  1  0.332346  0.076740  0.687614  1
  P  P236  1  0.324309  0.542900  0.632503  1
  P  P237  1  0.503375  0.807936  0.693170  1
  P  P238  1  0.505854  0.254601  0.635179  1
  P  P239  1  0.008541  0.989857  0.650179  1
  P  P240  1  1.004278  0.444320  0.589247  1
