# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64850309
_cell_length_b   24.47100811
_cell_length_c   60.29972754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.67411972
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe36 P144'
_cell_volume   9744.01541427
_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  0.705649  0.804998  0.381297  1
  Fe  Fe2  1  0.786806  0.993208  0.325282  1
  Fe  Fe3  1  0.114695  0.625571  0.447765  1
  Fe  Fe4  1  0.848265  0.156128  0.438501  1
  Fe  Fe5  1  0.937100  0.332404  0.371472  1
  Fe  Fe6  1  0.550506  0.537743  0.315141  1
  Fe  Fe7  1  0.389364  0.242624  0.475518  1
  Fe  Fe8  1  0.471646  0.420459  0.407988  1
  Fe  Fe9  1  0.069522  0.601240  0.341596  1
  Fe  Fe10  1  0.233779  0.888313  0.417779  1
  Fe  Fe11  1  0.335938  0.071701  0.355008  1
  Fe  Fe12  1  0.654603  0.711576  0.485239  1
  Fe  Fe13  1  0.211893  0.344960  0.494868  1
  Fe  Fe14  1  0.290152  0.522701  0.427978  1
  Fe  Fe15  1  0.890455  0.703755  0.360716  1
  Fe  Fe16  1  0.589698  0.112582  0.396241  1
  Fe  Fe17  1  0.680855  0.286630  0.335107  1
  Fe  Fe18  1  0.522244  0.936466  0.464224  1
  Fe  Fe19  1  0.950624  0.269580  0.581417  1
  Fe  Fe20  1  0.034515  0.447074  0.514199  1
  Fe  Fe21  1  0.355699  0.091530  0.648834  1
  Fe  Fe22  1  0.088283  0.618499  0.635180  1
  Fe  Fe23  1  0.191871  0.800699  0.572627  1
  Fe  Fe24  1  0.769129  0.977223  0.504782  1
  Fe  Fe25  1  0.631023  0.706069  0.668977  1
  Fe  Fe26  1  0.729175  0.882625  0.607047  1
  Fe  Fe27  1  0.308518  0.064134  0.541843  1
  Fe  Fe28  1  0.488836  0.357129  0.618908  1
  Fe  Fe29  1  0.574092  0.532546  0.551374  1
  Fe  Fe30  1  0.893094  0.180670  0.678740  1
  Fe  Fe31  1  0.470638  0.799893  0.687215  1
  Fe  Fe32  1  0.527456  0.991475  0.630769  1
  Fe  Fe33  1  0.133247  0.166962  0.561295  1
  Fe  Fe34  1  0.834641  0.575736  0.594038  1
  Fe  Fe35  1  0.901900  0.752207  0.525669  1
  Fe  Fe36  1  0.741147  0.398299  0.659253  1
  P  P37  1  0.746303  0.905216  0.380083  1
  P  P38  1  0.830192  0.080431  0.313674  1
  P  P39  1  0.158839  0.726632  0.445124  1
  P  P40  1  0.847641  0.141985  0.478751  1
  P  P41  1  0.932517  0.318877  0.411786  1
  P  P42  1  0.523084  0.493143  0.346093  1
  P  P43  1  0.347580  0.141288  0.478330  1
  P  P44  1  0.430460  0.319444  0.411278  1
  P  P45  1  0.028212  0.499747  0.343325  1
  P  P46  1  0.244728  0.904045  0.379442  1
  P  P47  1  0.327537  0.076228  0.314498  1
  P  P48  1  0.657446  0.726134  0.445155  1
  P  P49  1  0.045940  0.996182  0.348753  1
  P  P50  1  0.366826  0.637891  0.477303  1
  P  P51  1  0.952149  0.815349  0.411627  1
  P  P52  1  0.636032  0.227949  0.444940  1
  P  P53  1  0.725412  0.404886  0.378292  1
  P  P54  1  0.311243  0.590525  0.309792  1
  P  P55  1  0.795443  0.005948  0.467466  1
  P  P56  1  0.876110  0.182546  0.400974  1
  P  P57  1  0.953356  0.360091  0.332792  1
  P  P58  1  0.735133  0.895672  0.323710  1
  P  P59  1  0.050530  0.530871  0.456603  1
  P  P60  1  0.643578  0.710434  0.389133  1
  P  P61  1  0.307196  0.041623  0.392493  1
  P  P62  1  0.405567  0.218047  0.323185  1
  P  P63  1  0.229823  0.865246  0.456422  1
  P  P64  1  0.135058  0.697647  0.332455  1
  P  P65  1  0.453228  0.337288  0.465741  1
  P  P66  1  0.537641  0.515054  0.399718  1
  P  P67  1  0.523062  0.955026  0.423620  1
  P  P68  1  0.615858  0.133660  0.356592  1
  P  P69  1  0.933995  0.777663  0.488352  1
  P  P70  1  0.922448  0.787335  0.302818  1
  P  P71  1  0.229206  0.424100  0.434515  1
  P  P72  1  0.823483  0.604064  0.366802  1
  P  P73  1  0.572535  0.089347  0.435631  1
  P  P74  1  0.652324  0.264270  0.370374  1
  P  P75  1  0.490602  0.911129  0.501662  1
  P  P76  1  0.949948  0.803473  0.354936  1
  P  P77  1  0.275938  0.443956  0.487659  1
  P  P78  1  0.356200  0.621729  0.421242  1
  P  P79  1  0.287055  1.000224  0.468437  1
  P  P80  1  0.367671  0.178212  0.402476  1
  P  P81  1  0.455023  0.353208  0.334845  1
  P  P82  1  0.237209  0.896718  0.323033  1
  P  P83  1  0.557154  0.533908  0.454611  1
  P  P84  1  0.144265  0.711808  0.388602  1
  P  P85  1  0.812881  0.046165  0.390761  1
  P  P86  1  0.900024  0.224585  0.323109  1
  P  P87  1  0.724454  0.865541  0.456184  1
  P  P88  1  0.629673  0.694629  0.333622  1
  P  P89  1  0.948447  0.334513  0.468141  1
  P  P90  1  0.038557  0.514321  0.399654  1
  P  P91  1  0.444605  0.801132  0.355842  1
  P  P92  1  0.768649  0.440770  0.489269  1
  P  P93  1  0.856331  0.620850  0.421854  1
  P  P94  1  0.077105  0.093043  0.434532  1
  P  P95  1  0.163209  0.269261  0.367250  1
  P  P96  1  0.992748  0.912977  0.500542  1
  P  P97  1  0.426385  0.790271  0.302461  1
  P  P98  1  0.739268  0.427383  0.433175  1
  P  P99  1  0.329399  0.605310  0.366090  1
  P  P100  1  0.017413  0.953133  0.424405  1
  P  P101  1  0.108469  0.132808  0.357589  1
  P  P102  1  0.431563  0.775800  0.489515  1
  P  P103  1  0.534694  0.995908  0.349436  1
  P  P104  1  0.868111  0.639569  0.478091  1
  P  P105  1  0.455230  0.817200  0.412035  1
  P  P106  1  0.136975  0.229932  0.446152  1
  P  P107  1  0.221114  0.406464  0.378477  1
  P  P108  1  0.829427  0.593757  0.310182  1
  P  P109  1  0.992108  0.370801  0.578827  1
  P  P110  1  0.075754  0.548173  0.511468  1
  P  P111  1  0.399300  0.192530  0.645216  1
  P  P112  1  0.096667  0.616963  0.675732  1
  P  P113  1  0.180281  0.786418  0.611267  1
  P  P114  1  0.767179  0.963090  0.544878  1
  P  P115  1  0.593280  0.613250  0.676433  1
  P  P116  1  0.678907  0.784239  0.609156  1
  P  P117  1  0.266575  0.963087  0.544639  1
  P  P118  1  0.491552  0.371119  0.578410  1
  P  P119  1  0.575551  0.547426  0.511106  1
  P  P120  1  0.903616  0.194694  0.642867  1
  P  P121  1  0.285863  0.459345  0.543764  1
  P  P122  1  0.611154  0.106277  0.678278  1
  P  P123  1  0.201920  0.282901  0.610607  1
  P  P124  1  0.880494  0.692125  0.640827  1
  P  P125  1  0.973850  0.872914  0.577464  1
  P  P126  1  0.555673  0.049637  0.511632  1
  P  P127  1  0.021357  0.471657  0.667500  1
  P  P128  1  0.115580  0.647813  0.597809  1
  P  P129  1  0.195222  0.823395  0.533570  1
  P  P130  1  0.970401  0.352595  0.523979  1
  P  P131  1  0.292216  0.995701  0.659682  1
  P  P132  1  0.885515  0.174519  0.589429  1
  P  P133  1  0.548533  0.505395  0.589282  1
  P  P134  1  0.628402  0.682672  0.522599  1
  P  P135  1  0.464399  0.327336  0.656131  1
  P  P136  1  0.373444  0.158843  0.532951  1
  P  P137  1  0.710663  0.799587  0.662409  1
  P  P138  1  0.776818  0.979698  0.601136  1
  P  P139  1  0.769796  0.422960  0.621838  1
  P  P140  1  0.851185  0.599148  0.554523  1
  P  P141  1  0.169589  0.241400  0.690157  1
  P  P142  1  0.147845  0.245945  0.502008  1
  P  P143  1  0.479592  0.890087  0.634852  1
  P  P144  1  0.067937  0.067679  0.568551  1
  P  P145  1  0.810353  0.554556  0.633638  1
  P  P146  1  0.902974  0.734004  0.566307  1
  P  P147  1  0.737857  0.379927  0.698777  1
  P  P148  1  0.194372  0.266077  0.555029  1
  P  P149  1  0.499773  0.896273  0.689768  1
  P  P150  1  0.597695  0.087097  0.622707  1
  P  P151  1  0.525476  0.467832  0.666950  1
  P  P152  1  0.610670  0.641991  0.598784  1
  P  P153  1  0.700213  0.823147  0.533816  1
  P  P154  1  0.475528  0.355405  0.521570  1
  P  P155  1  0.792274  0.995970  0.657110  1
  P  P156  1  0.383776  0.175258  0.589623  1
  P  P157  1  0.054479  0.509940  0.587998  1
  P  P158  1  0.136675  0.688344  0.521533  1
  P  P159  1  0.965799  0.330537  0.654859  1
  P  P160  1  0.866689  0.155860  0.534873  1
  P  P161  1  0.185453  0.790001  0.668181  1
  P  P162  1  0.282640  0.979374  0.601476  1
  P  P163  1  0.683872  0.262764  0.556426  1
  P  P164  1  -0.000755  0.897819  0.687984  1
  P  P165  1  0.091495  0.084067  0.624064  1
  P  P166  1  0.314853  0.556767  0.632487  1
  P  P167  1  0.405932  0.735618  0.565635  1
  P  P168  1  0.234356  0.379690  0.696633  1
  P  P169  1  0.655190  0.249115  0.500383  1
  P  P170  1  0.988667  0.893295  0.633499  1
  P  P171  1  0.568767  0.068959  0.567542  1
  P  P172  1  0.259448  0.419171  0.623849  1
  P  P173  1  0.345010  0.595280  0.555631  1
  P  P174  1  0.678154  0.242482  0.689446  1
  P  P175  1  0.787680  0.461518  0.544837  1
  P  P176  1  0.108776  0.107095  0.679074  1
  P  P177  1  0.698750  0.284248  0.611357  1
  P  P178  1  0.382821  0.693281  0.641117  1
  P  P179  1  0.472560  0.874207  0.578164  1
  P  P180  1  0.056468  0.051343  0.512502  1
