# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28498191
_cell_length_b   25.12701101
_cell_length_c   61.88110994
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.68868299
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe36 P144'
_cell_volume   9730.48012596
_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  0.855707  0.460695  0.460295  1
  Fe  Fe2  1  0.137143  0.259990  0.393987  1
  Fe  Fe3  1  0.409305  0.055762  0.329375  1
  Fe  Fe4  1  0.205535  0.683590  0.365151  1
  Fe  Fe5  1  0.632367  0.083415  0.499262  1
  Fe  Fe6  1  0.915474  0.884385  0.434855  1
  Fe  Fe7  1  0.083545  0.706641  0.437561  1
  Fe  Fe8  1  0.365877  0.505251  0.369717  1
  Fe  Fe9  1  0.597304  0.302327  0.308312  1
  Fe  Fe10  1  0.573695  0.888070  0.334160  1
  Fe  Fe11  1  0.024374  0.288439  0.463235  1
  Fe  Fe12  1  0.308969  0.087880  0.395938  1
  Fe  Fe13  1  0.972663  0.592743  0.448625  1
  Fe  Fe14  1  0.257086  0.391546  0.382314  1
  Fe  Fe15  1  0.517785  0.193625  0.318811  1
  Fe  Fe16  1  0.741430  0.885592  0.379386  1
  Fe  Fe17  1  0.030560  0.687878  0.322311  1
  Fe  Fe18  1  0.477257  0.087063  0.451551  1
  Fe  Fe19  1  0.030627  0.060134  0.661090  1
  Fe  Fe20  1  0.292725  0.861468  0.594094  1
  Fe  Fe21  1  0.574871  0.661043  0.527097  1
  Fe  Fe22  1  0.352997  0.283972  0.566123  1
  Fe  Fe23  1  0.780840  0.690414  0.693320  1
  Fe  Fe24  1  0.058404  0.485882  0.634786  1
  Fe  Fe25  1  0.241629  0.308198  0.639031  1
  Fe  Fe26  1  0.523557  0.106949  0.571529  1
  Fe  Fe27  1  0.803585  0.906621  0.504626  1
  Fe  Fe28  1  0.741852  0.488736  0.530035  1
  Fe  Fe29  1  0.178431  0.886733  0.663650  1
  Fe  Fe30  1  0.469000  0.690804  0.598771  1
  Fe  Fe31  1  0.128598  0.194463  0.649221  1
  Fe  Fe32  1  0.411181  0.993554  0.582637  1
  Fe  Fe33  1  0.692444  0.792775  0.515741  1
  Fe  Fe34  1  0.913325  0.487768  0.584758  1
  Fe  Fe35  1  0.196030  0.287894  0.518596  1
  Fe  Fe36  1  0.623910  0.689108  0.647927  1
  P  P37  1  0.572069  0.411451  0.474410  1
  P  P38  1  0.853681  0.210845  0.408004  1
  P  P39  1  0.122703  0.011824  0.341089  1
  P  P40  1  0.510326  0.661900  0.390395  1
  P  P41  1  0.797515  0.458929  0.326256  1
  P  P42  1  0.230436  0.861877  0.457259  1
  P  P43  1  0.365932  0.762133  0.423942  1
  P  P44  1  0.652331  0.561180  0.357214  1
  P  P45  1  0.087061  0.961250  0.490793  1
  P  P46  1  0.270793  0.906626  0.309587  1
  P  P47  1  0.712591  0.312264  0.440759  1
  P  P48  1  0.994964  0.111864  0.374188  1
  P  P49  1  0.947225  0.479888  0.496633  1
  P  P50  1  0.230346  0.279463  0.430106  1
  P  P51  1  0.514640  0.076564  0.362653  1
  P  P52  1  0.144903  0.591926  0.367099  1
  P  P53  1  0.463248  0.387328  0.298902  1
  P  P54  1  0.853521  0.793226  0.434845  1
  P  P55  1  0.831493  0.699210  0.351761  1
  P  P56  1  0.274159  0.097798  0.484181  1
  P  P57  1  0.559857  0.897400  0.416237  1
  P  P58  1  0.189688  0.503385  0.451565  1
  P  P59  1  0.473077  0.301970  0.385216  1
  P  P60  1  0.717137  0.103104  0.315336  1
  P  P61  1  0.936408  0.871997  0.346388  1
  P  P62  1  0.379948  0.275624  0.482042  1
  P  P63  1  0.661394  0.074773  0.414946  1
  P  P64  1  0.743885  0.672681  0.445996  1
  P  P65  1  0.028235  0.471707  0.379036  1
  P  P66  1  0.274932  0.270392  0.311043  1
  P  P67  1  0.390322  0.906090  0.363825  1
  P  P68  1  0.855463  0.303443  0.496782  1
  P  P69  1  0.136379  0.102979  0.430072  1
  P  P70  1  0.294990  0.628676  0.438042  1
  P  P71  1  0.576709  0.427895  0.371771  1
  P  P72  1  0.808220  0.227166  0.301206  1
  P  P73  1  0.393065  0.669642  0.332067  1
  P  P74  1  0.818439  0.068479  0.468109  1
  P  P75  1  0.082500  0.869177  0.401309  1
  P  P76  1  0.659032  0.543787  0.459252  1
  P  P77  1  0.942164  0.343203  0.392816  1
  P  P78  1  0.206172  0.142057  0.324791  1
  P  P79  1  0.698571  0.797786  0.383458  1
  P  P80  1  0.978533  0.601918  0.316070  1
  P  P81  1  0.420639  0.997886  0.450111  1
  P  P82  1  0.046398  0.603581  0.484712  1
  P  P83  1  0.329021  0.403458  0.418140  1
  P  P84  1  0.612790  0.200376  0.352671  1
  P  P85  1  0.065330  0.772380  0.313089  1
  P  P86  1  0.520997  0.175611  0.448652  1
  P  P87  1  0.797588  0.973656  0.380629  1
  P  P88  1  0.895168  0.570918  0.413026  1
  P  P89  1  0.184690  0.369032  0.346715  1
  P  P90  1  0.612435  0.771110  0.480419  1
  P  P91  1  0.519787  0.643124  0.492135  1
  P  P92  1  0.802166  0.443137  0.425298  1
  P  P93  1  0.084591  0.241873  0.358985  1
  P  P94  1  0.231829  0.772130  0.367477  1
  P  P95  1  0.512538  0.565678  0.303346  1
  P  P96  1  0.945807  0.971822  0.434877  1
  P  P97  1  0.424472  0.529354  0.405225  1
  P  P98  1  0.711509  0.327361  0.339866  1
  P  P99  1  0.143596  0.729466  0.472257  1
  P  P100  1  0.553213  0.800519  0.328725  1
  P  P101  1  0.996491  0.200843  0.463277  1
  P  P102  1  0.270859  1.001181  0.396796  1
  P  P103  1  0.650880  0.976164  0.326228  1
  P  P104  1  0.090567  0.379357  0.463580  1
  P  P105  1  0.371861  0.178127  0.397061  1
  P  P106  1  0.002974  0.693349  0.400688  1
  P  P107  1  0.278681  0.490505  0.333218  1
  P  P108  1  0.712498  0.894461  0.468107  1
  P  P109  1  0.734221  0.014025  0.673317  1
  P  P110  1  0.008272  0.812499  0.607654  1
  P  P111  1  0.290324  0.611514  0.540925  1
  P  P112  1  0.666953  0.262830  0.591057  1
  P  P113  1  0.947031  0.062168  0.524008  1
  P  P114  1  0.385385  0.463471  0.656626  1
  P  P115  1  0.524125  0.362176  0.625073  1
  P  P116  1  0.808183  0.161933  0.557931  1
  P  P117  1  0.262061  0.569068  0.686772  1
  P  P118  1  0.430409  0.512318  0.507355  1
  P  P119  1  0.865022  0.911644  0.641595  1
  P  P120  1  0.155072  0.712708  0.574205  1
  P  P121  1  0.123322  0.074374  0.697584  1
  P  P122  1  0.379717  0.878015  0.630489  1
  P  P123  1  0.668011  0.679903  0.563413  1
  P  P124  1  0.295393  0.193691  0.568617  1
  P  P125  1  0.573754  0.993367  0.501850  1
  P  P126  1  0.010376  0.394898  0.635360  1
  P  P127  1  0.993847  0.298516  0.551131  1
  P  P128  1  0.442483  0.696988  0.684549  1
  P  P129  1  0.713450  0.498955  0.617860  1
  P  P130  1  0.345794  0.104356  0.651438  1
  P  P131  1  0.626864  0.903911  0.585308  1
  P  P132  1  0.909362  0.703241  0.518345  1
  P  P133  1  0.098135  0.475293  0.548571  1
  P  P134  1  0.535662  0.871243  0.682131  1
  P  P135  1  0.827961  0.676731  0.614256  1
  P  P136  1  0.902174  0.273743  0.646319  1
  P  P137  1  0.183571  0.073459  0.580350  1
  P  P138  1  0.462990  0.872940  0.513383  1
  P  P139  1  0.571211  0.503592  0.563625  1
  P  P140  1  0.013723  0.907473  0.696848  1
  P  P141  1  0.288583  0.707616  0.630273  1
  P  P142  1  0.453478  0.230151  0.639252  1
  P  P143  1  0.734803  0.029294  0.571726  1
  P  P144  1  0.014573  0.828784  0.504830  1
  P  P145  1  0.539063  0.268986  0.534947  1
  P  P146  1  0.979017  0.668379  0.665914  1
  P  P147  1  0.253801  0.469269  0.601936  1
  P  P148  1  0.820288  0.144111  0.660852  1
  P  P149  1  0.096111  0.944566  0.593559  1
  P  P150  1  0.377862  0.744118  0.526453  1
  P  P151  1  0.857401  0.398977  0.584017  1
  P  P152  1  0.139618  0.198815  0.517122  1
  P  P153  1  0.584669  0.599208  0.649497  1
  P  P154  1  0.204527  0.203472  0.685361  1
  P  P155  1  0.489720  0.003346  0.618397  1
  P  P156  1  0.769407  0.803678  0.551467  1
  P  P157  1  0.239696  0.376131  0.515304  1
  P  P158  1  0.674105  0.777708  0.647277  1
  P  P159  1  0.961249  0.575643  0.581772  1
  P  P160  1  0.051135  0.172340  0.614117  1
  P  P161  1  0.330069  0.972079  0.547395  1
  P  P162  1  0.755586  0.372936  0.678389  1
  P  P163  1  0.683805  0.248733  0.690830  1
  P  P164  1  0.960654  0.043884  0.626063  1
  P  P165  1  0.238529  0.844216  0.559002  1
  P  P166  1  0.386433  0.371895  0.568432  1
  P  P167  1  0.667580  0.171350  0.501588  1
  P  P168  1  0.109168  0.572058  0.634122  1
  P  P169  1  0.584264  0.130455  0.606147  1
  P  P170  1  0.862234  0.929956  0.539232  1
  P  P171  1  0.282941  0.331719  0.673994  1
  P  P172  1  0.714639  0.401211  0.530018  1
  P  P173  1  0.135856  0.799613  0.665903  1
  P  P174  1  0.437023  0.603119  0.596632  1
  P  P175  1  0.808373  0.579298  0.530322  1
  P  P176  1  0.258507  0.977978  0.663441  1
  P  P177  1  0.529351  0.780275  0.596086  1
  P  P178  1  0.157407  0.295099  0.601618  1
  P  P179  1  0.435475  0.094756  0.534771  1
  P  P180  1  0.880131  0.497404  0.670272  1
