# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.44904923
_cell_length_b   9.01355541
_cell_length_c   52.44319416
_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   'Fe30 P120'
_cell_volume   7775.45958571
_cell_formula_units_Z   30
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  0.576718  0.702588  0.319619  1
  Fe  Fe2  1  0.081692  0.837367  0.301195  1
  Fe  Fe3  1  0.890826  0.147077  0.337458  1
  Fe  Fe4  1  0.398385  0.413154  0.279698  1
  Fe  Fe5  1  0.721859  0.620638  0.290544  1
  Fe  Fe6  1  0.234298  0.919950  0.329259  1
  Fe  Fe7  1  0.571140  0.272416  0.404710  1
  Fe  Fe8  1  0.076683  0.424871  0.379346  1
  Fe  Fe9  1  0.890501  0.711335  0.421199  1
  Fe  Fe10  1  0.390776  0.987077  0.361257  1
  Fe  Fe11  1  0.739847  0.202895  0.369163  1
  Fe  Fe12  1  0.233810  0.490657  0.412423  1
  Fe  Fe13  1  0.576297  0.840082  0.487232  1
  Fe  Fe14  1  0.076063  0.996102  0.463414  1
  Fe  Fe15  1  0.889703  0.280833  0.505226  1
  Fe  Fe16  1  0.389538  0.554855  0.445500  1
  Fe  Fe17  1  0.733431  0.775408  0.454134  1
  Fe  Fe18  1  0.233833  0.061177  0.496664  1
  Fe  Fe19  1  0.577346  0.410172  0.571648  1
  Fe  Fe20  1  0.071055  0.561895  0.545709  1
  Fe  Fe21  1  0.890641  0.850735  0.589173  1
  Fe  Fe22  1  0.390411  0.126194  0.529572  1
  Fe  Fe23  1  0.733045  0.344663  0.538605  1
  Fe  Fe24  1  0.241209  0.632890  0.581828  1
  Fe  Fe25  1  0.584613  0.962013  0.647939  1
  Fe  Fe26  1  0.074007  0.133377  0.629964  1
  Fe  Fe27  1  0.908465  0.429995  0.666284  1
  Fe  Fe28  1  0.391497  0.700999  0.612084  1
  Fe  Fe29  1  0.734461  0.915300  0.621031  1
  Fe  Fe30  1  0.220369  0.182814  0.655953  1
  P  P31  1  0.484412  1.000942  0.267295  1
  P  P32  1  -0.015541  0.563101  0.351089  1
  P  P33  1  -0.013439  0.280951  0.309582  1
  P  P34  1  0.485102  0.278539  0.306935  1
  P  P35  1  0.486452  0.635251  0.284619  1
  P  P36  1  -0.013582  0.926864  0.330082  1
  P  P37  1  0.155640  0.688809  0.324564  1
  P  P38  1  0.653738  0.855153  0.290873  1
  P  P39  1  0.317688  0.553952  0.251062  1
  P  P40  1  0.820706  0.429410  0.280290  1
  P  P41  1  0.316240  0.201779  0.271133  1
  P  P42  1  0.817914  0.361626  0.342248  1
  P  P43  1  0.148222  0.058435  0.298753  1
  P  P44  1  0.649101  0.474154  0.315395  1
  P  P45  1  0.155410  0.424769  0.281693  1
  P  P46  1  0.655478  0.562103  0.252646  1
  P  P47  1  0.315106  0.841094  0.293374  1
  P  P48  1  0.816864  0.714723  0.320165  1
  P  P49  1  0.652665  0.213019  0.272709  1
  P  P50  1  0.151832  0.339565  0.344092  1
  P  P51  1  0.820362  0.071298  0.301234  1
  P  P52  1  0.320058  0.491472  0.313905  1
  P  P53  1  0.485064  0.346606  0.244699  1
  P  P54  1  -0.007484  0.649142  0.287344  1
  P  P55  1  0.484836  0.565883  0.347809  1
  P  P56  1  0.982525  0.131944  0.435576  1
  P  P57  1  -0.014998  0.846524  0.393475  1
  P  P58  1  0.485027  0.852062  0.389496  1
  P  P59  1  0.485277  0.203065  0.368865  1
  P  P60  1  -0.014506  0.493902  0.414019  1
  P  P61  1  0.148671  0.270616  0.407213  1
  P  P62  1  0.650179  0.420427  0.376224  1
  P  P63  1  0.316962  0.136969  0.332828  1
  P  P64  1  0.819919  0.983173  0.364454  1
  P  P65  1  0.318344  0.768332  0.356498  1
  P  P66  1  0.816174  0.928333  0.426480  1
  P  P67  1  0.151007  0.642417  0.385187  1
  P  P68  1  0.651653  0.056162  0.397656  1
  P  P69  1  0.152135  0.995172  0.363779  1
  P  P70  1  0.653023  0.124062  0.335558  1
  P  P71  1  0.315397  0.413935  0.377597  1
  P  P72  1  0.815799  0.281038  0.405065  1
  P  P73  1  0.652012  0.775802  0.355121  1
  P  P74  1  0.151198  0.918658  0.428379  1
  P  P75  1  0.816885  0.632481  0.385809  1
  P  P76  1  0.315975  0.064119  0.396637  1
  P  P77  1  0.482767  0.915934  0.327070  1
  P  P78  1  0.981759  0.209359  0.372233  1
  P  P79  1  0.481641  0.133613  0.431572  1
  P  P80  1  0.981869  0.702260  0.518801  1
  P  P81  1  0.983882  0.416579  0.477496  1
  P  P82  1  0.483872  0.419193  0.473203  1
  P  P83  1  0.485246  0.771991  0.452682  1
  P  P84  1  -0.015008  0.063954  0.497966  1
  P  P85  1  0.148727  0.841192  0.491140  1
  P  P86  1  0.648461  0.995296  0.459541  1
  P  P87  1  0.317954  0.711836  0.417996  1
  P  P88  1  0.818128  0.555318  0.448767  1
  P  P89  1  0.315474  0.337721  0.440147  1
  P  P90  1  0.815434  0.497722  0.510669  1
  P  P91  1  0.150688  0.213587  0.469002  1
  P  P92  1  0.650647  0.622281  0.481745  1
  P  P93  1  0.150860  0.566688  0.447298  1
  P  P94  1  0.651274  0.699569  0.419428  1
  P  P95  1  0.315515  0.984929  0.461887  1
  P  P96  1  0.815328  0.851567  0.488876  1
  P  P97  1  0.650605  0.347793  0.438790  1
  P  P98  1  0.151074  0.487640  0.512080  1
  P  P99  1  0.815315  0.202989  0.470051  1
  P  P100  1  0.315579  0.633381  0.480810  1
  P  P101  1  0.480506  0.489448  0.410714  1
  P  P102  1  0.981328  0.779024  0.455916  1
  P  P103  1  0.482585  0.704578  0.515070  1
  P  P104  1  -0.015699  0.271805  0.602554  1
  P  P105  1  0.983684  0.985186  0.560929  1
  P  P106  1  0.484586  0.990504  0.557326  1
  P  P107  1  0.485933  0.342338  0.536800  1
  P  P108  1  -0.014593  0.635140  0.581211  1
  P  P109  1  0.150186  0.416901  0.575239  1
  P  P110  1  0.648832  0.564550  0.543465  1
  P  P111  1  0.318378  0.281389  0.502050  1
  P  P112  1  0.817199  0.125078  0.532987  1
  P  P113  1  0.316364  0.908567  0.524341  1
  P  P114  1  0.816190  0.069887  0.594796  1
  P  P115  1  0.151722  0.778345  0.552826  1
  P  P116  1  0.650747  0.192047  0.566645  1
  P  P117  1  0.151312  0.137041  0.531209  1
  P  P118  1  0.650752  0.268710  0.503737  1
  P  P119  1  0.316030  0.555329  0.545939  1
  P  P120  1  0.815842  0.422594  0.573253  1
  P  P121  1  0.650797  0.917841  0.522396  1
  P  P122  1  0.149858  0.059107  0.594304  1
  P  P123  1  0.816209  0.772835  0.553725  1
  P  P124  1  0.316528  0.206929  0.565158  1
  P  P125  1  0.481241  0.057282  0.494741  1
  P  P126  1  0.980728  0.346436  0.539911  1
  P  P127  1  0.484368  0.275799  0.599632  1
  P  P128  1  0.983520  0.836915  0.683566  1
  P  P129  1  -0.011284  0.564941  0.642084  1
  P  P130  1  0.485029  0.567819  0.640219  1
  P  P131  1  0.486793  0.914408  0.620154  1
  P  P132  1  -0.012175  0.208193  0.666873  1
  P  P133  1  0.149026  0.977018  0.660026  1
  P  P134  1  0.650839  0.143048  0.629121  1
  P  P135  1  0.318919  0.856008  0.586009  1
  P  P136  1  0.818561  0.698219  0.617147  1
  P  P137  1  0.317655  0.478595  0.609791  1
  P  P138  1  0.826636  0.617055  0.680497  1
  P  P139  1  0.150187  0.358248  0.636808  1
  P  P140  1  0.656166  0.757234  0.651893  1
  P  P141  1  0.153514  0.714589  0.614996  1
  P  P142  1  0.653061  0.838018  0.586449  1
  P  P143  1  0.318122  0.122001  0.629382  1
  P  P144  1  0.816115  0.986942  0.657402  1
  P  P145  1  0.651845  0.493090  0.606549  1
  P  P146  1  0.147334  0.626186  0.677641  1
  P  P147  1  0.817784  0.342298  0.637878  1
  P  P148  1  0.318016  0.771742  0.649383  1
  P  P149  1  0.482308  0.628577  0.578268  1
  P  P150  1  0.981847  0.923250  0.623540  1
