# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.12180892
_cell_length_b   9.88242512
_cell_length_c   51.77316976
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.76237941
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe36 P144'
_cell_volume   8410.83394543
_cell_formula_units_Z   36
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  0.349940  0.015260  0.301621  1
  Fe  Fe2  1  0.854320  0.919866  0.304129  1
  Fe  Fe3  1  0.639241  0.310820  0.325812  1
  Fe  Fe4  1  0.141740  0.386686  0.326681  1
  Fe  Fe5  1  0.515009  0.877274  0.283373  1
  Fe  Fe6  1  0.032065  0.384527  0.285463  1
  Fe  Fe7  1  0.279296  0.583917  0.381401  1
  Fe  Fe8  1  0.791276  0.501184  0.378014  1
  Fe  Fe9  1  0.577979  0.866218  0.402158  1
  Fe  Fe10  1  0.081650  0.941479  0.406332  1
  Fe  Fe11  1  0.472737  0.438455  0.349903  1
  Fe  Fe12  1  0.961140  0.944933  0.347563  1
  Fe  Fe13  1  0.219741  0.141591  0.458146  1
  Fe  Fe14  1  0.728189  0.058751  0.455659  1
  Fe  Fe15  1  0.516484  0.422664  0.479637  1
  Fe  Fe16  1  0.019983  0.500044  0.482798  1
  Fe  Fe17  1  0.410121  0.991314  0.427918  1
  Fe  Fe18  1  0.897834  0.494486  0.426775  1
  Fe  Fe19  1  0.157795  0.697170  0.536061  1
  Fe  Fe20  1  0.666237  0.615133  0.533113  1
  Fe  Fe21  1  0.454098  0.978457  0.557352  1
  Fe  Fe22  1  0.958359  0.054592  0.560532  1
  Fe  Fe23  1  0.349297  0.545905  0.505425  1
  Fe  Fe24  1  0.835623  0.052072  0.504102  1
  Fe  Fe25  1  0.095659  0.252626  0.613377  1
  Fe  Fe26  1  0.605187  0.168678  0.610788  1
  Fe  Fe27  1  0.399358  0.527683  0.632594  1
  Fe  Fe28  1  0.896010  0.609732  0.638048  1
  Fe  Fe29  1  0.287849  0.104404  0.582333  1
  Fe  Fe30  1  0.774518  0.611339  0.580452  1
  Fe  Fe31  1  0.042671  0.807639  0.687470  1
  Fe  Fe32  1  0.537415  0.731016  0.686025  1
  Fe  Fe33  1  0.348120  0.085553  0.703048  1
  Fe  Fe34  1  0.822568  0.177189  0.704993  1
  Fe  Fe35  1  0.205763  0.672014  0.664111  1
  Fe  Fe36  1  0.717708  0.163998  0.660624  1
  P  P37  1  0.239367  0.961577  0.325713  1
  P  P38  1  0.727791  0.648996  0.339990  1
  P  P39  1  0.748819  0.378292  0.301827  1
  P  P40  1  0.257939  0.688268  0.289950  1
  P  P41  1  0.285314  0.977913  0.262299  1
  P  P42  1  0.738145  0.069034  0.323711  1
  P  P43  1  0.886150  0.773844  0.337169  1
  P  P44  1  0.442233  0.103382  0.273870  1
  P  P45  1  0.102873  0.543985  0.288644  1
  P  P46  1  0.608596  0.663075  0.272323  1
  P  P47  1  0.076010  0.219205  0.314483  1
  P  P48  1  0.564889  0.540221  0.327269  1
  P  P49  1  0.918993  0.103854  0.310710  1
  P  P50  1  0.424564  0.777670  0.299995  1
  P  P51  1  0.910376  0.507796  0.297128  1
  P  P52  1  0.407832  0.405689  0.312658  1
  P  P53  1  0.075572  0.819701  0.327467  1
  P  P54  1  0.588110  0.929173  0.314624  1
  P  P55  1  0.398846  0.086828  0.338540  1
  P  P56  1  0.950011  0.811942  0.275549  1
  P  P57  1  0.590191  0.255382  0.287410  1
  P  P58  1  0.101067  0.963069  0.274489  1
  P  P59  1  0.257655  0.262470  0.298902  1
  P  P60  1  0.761461  0.803800  0.283505  1
  P  P61  1  0.171824  0.517689  0.402768  1
  P  P62  1  0.662474  0.201765  0.417511  1
  P  P63  1  0.692176  0.925322  0.378428  1
  P  P64  1  0.204970  0.239366  0.363681  1
  P  P65  1  0.225256  0.535861  0.340355  1
  P  P66  1  0.673235  0.621587  0.401435  1
  P  P67  1  0.823006  0.335900  0.413946  1
  P  P68  1  0.372789  0.676228  0.353757  1
  P  P69  1  0.039832  0.097316  0.367801  1
  P  P70  1  0.557335  0.202645  0.351308  1
  P  P71  1  0.008624  0.793994  0.388477  1
  P  P72  1  0.498785  0.092081  0.403701  1
  P  P73  1  0.856491  0.657530  0.392286  1
  P  P74  1  0.370137  0.358544  0.377151  1
  P  P75  1  0.855604  0.062324  0.374495  1
  P  P76  1  0.342246  0.957157  0.391410  1
  P  P77  1  0.011947  0.374889  0.405544  1
  P  P78  1  0.524809  0.483250  0.389738  1
  P  P79  1  0.337959  0.639777  0.417016  1
  P  P80  1  0.891087  0.369911  0.352562  1
  P  P81  1  0.525321  0.808130  0.365255  1
  P  P82  1  0.040114  0.517927  0.351451  1
  P  P83  1  0.191034  0.821912  0.378838  1
  P  P84  1  0.707414  0.342989  0.363662  1
  P  P85  1  0.111356  0.073287  0.480041  1
  P  P86  1  0.600983  0.757842  0.494762  1
  P  P87  1  0.630621  0.480083  0.455946  1
  P  P88  1  0.144146  0.793569  0.441638  1
  P  P89  1  0.162509  0.099699  0.417980  1
  P  P90  1  0.611628  0.177583  0.479274  1
  P  P91  1  0.760581  0.893608  0.491273  1
  P  P92  1  0.311602  0.235500  0.429930  1
  P  P93  1  0.980373  0.655221  0.443949  1
  P  P94  1  0.495697  0.756441  0.428815  1
  P  P95  1  0.948174  0.347450  0.466388  1
  P  P96  1  0.437056  0.648174  0.481168  1
  P  P97  1  0.795017  0.215369  0.469244  1
  P  P98  1  0.307353  0.914731  0.454866  1
  P  P99  1  0.793053  0.617956  0.452572  1
  P  P100  1  0.281301  0.510874  0.469164  1
  P  P101  1  0.950095  0.931093  0.482943  1
  P  P102  1  0.462981  0.039617  0.466816  1
  P  P103  1  0.277172  0.195410  0.494095  1
  P  P104  1  0.827987  0.929048  0.430470  1
  P  P105  1  0.465760  0.362500  0.442438  1
  P  P106  1  0.977169  0.072763  0.428849  1
  P  P107  1  0.130052  0.379417  0.456559  1
  P  P108  1  0.645036  0.898589  0.440498  1
  P  P109  1  0.048949  0.629224  0.557426  1
  P  P110  1  0.539387  0.313684  0.572439  1
  P  P111  1  0.568751  0.036375  0.533592  1
  P  P112  1  0.082138  0.350349  0.518794  1
  P  P113  1  0.100549  0.656223  0.495586  1
  P  P114  1  0.549678  0.735579  0.556649  1
  P  P115  1  0.697815  0.451314  0.569169  1
  P  P116  1  0.250126  0.789629  0.507690  1
  P  P117  1  0.918646  0.209705  0.521500  1
  P  P118  1  0.434534  0.312277  0.506291  1
  P  P119  1  0.886622  0.902843  0.543579  1
  P  P120  1  0.375504  0.203772  0.558435  1
  P  P121  1  0.733315  0.772678  0.546261  1
  P  P122  1  0.245774  0.470106  0.532305  1
  P  P123  1  0.731331  0.174565  0.530151  1
  P  P124  1  0.219894  0.066258  0.546287  1
  P  P125  1  0.888851  0.487350  0.559731  1
  P  P126  1  0.401258  0.596981  0.544328  1
  P  P127  1  0.214701  0.749615  0.572234  1
  P  P128  1  0.766121  0.483611  0.508156  1
  P  P129  1  0.404197  0.918591  0.519890  1
  P  P130  1  0.915219  0.629411  0.505398  1
  P  P131  1  0.068711  0.935117  0.534050  1
  P  P132  1  0.583199  0.455308  0.518163  1
  P  P133  1  0.984940  0.187445  0.634040  1
  P  P134  1  0.475111  0.868865  0.648553  1
  P  P135  1  0.509736  0.591452  0.610477  1
  P  P136  1  0.021107  0.905608  0.596376  1
  P  P137  1  0.038704  0.212410  0.572735  1
  P  P138  1  0.489694  0.293100  0.634254  1
  P  P139  1  0.636322  0.007979  0.647893  1
  P  P140  1  0.187648  0.346328  0.584848  1
  P  P141  1  0.858277  0.765746  0.598598  1
  P  P142  1  0.372569  0.868373  0.584670  1
  P  P143  1  0.824032  0.463010  0.619709  1
  P  P144  1  0.307996  0.748398  0.636027  1
  P  P145  1  0.673372  0.322349  0.624464  1
  P  P146  1  0.185341  0.027707  0.609067  1
  P  P147  1  0.670208  0.736100  0.607149  1
  P  P148  1  0.156595  0.618659  0.625008  1
  P  P149  1  0.827082  0.040696  0.637446  1
  P  P150  1  0.339395  0.157566  0.622182  1
  P  P151  1  0.153304  0.303632  0.649634  1
  P  P152  1  0.704751  0.039221  0.585806  1
  P  P153  1  0.342824  0.471382  0.596691  1
  P  P154  1  0.853135  0.185122  0.582818  1
  P  P155  1  0.006921  0.490959  0.611525  1
  P  P156  1  0.520925  0.013570  0.595817  1
  P  P157  1  0.929023  0.747388  0.710117  1
  P  P158  1  0.417050  0.423190  0.720974  1
  P  P159  1  0.451166  0.143542  0.685351  1
  P  P160  1  0.955693  0.457480  0.673591  1
  P  P161  1  0.975710  0.768199  0.650323  1
  P  P162  1  0.422857  0.852186  0.714955  1
  P  P163  1  0.582913  0.568073  0.722473  1
  P  P164  1  0.121423  0.912836  0.660837  1
  P  P165  1  0.793955  0.336256  0.674378  1
  P  P166  1  0.308323  0.432686  0.662089  1
  P  P167  1  0.760320  0.011231  0.699731  1
  P  P168  1  0.261569  0.286852  0.715205  1
  P  P169  1  0.607767  0.873675  0.703171  1
  P  P170  1  0.119116  0.567770  0.690103  1
  P  P171  1  0.604837  0.292716  0.685411  1
  P  P172  1  0.100577  0.176106  0.701112  1
  P  P173  1  0.769121  0.599516  0.713359  1
  P  P174  1  0.273110  0.711563  0.700317  1
  P  P175  1  0.092259  0.864408  0.725488  1
  P  P176  1  0.641036  0.598746  0.661813  1
  P  P177  1  0.280293  0.017314  0.672433  1
  P  P178  1  0.791313  0.741554  0.660429  1
  P  P179  1  0.944887  0.056118  0.689667  1
  P  P180  1  0.455215  0.579284  0.672888  1
