# generated using pymatgen
data_Fe4P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.46966013
_cell_length_b   9.49246366
_cell_length_c   42.44759982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4P
_chemical_formula_sum   'Fe96 P24'
_cell_volume   3738.54050408
_cell_formula_units_Z   24
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  0.137051  0.049734  0.399264  1
  Fe  Fe2  1  0.631079  0.550014  0.399676  1
  Fe  Fe3  1  0.416596  0.996752  0.434570  1
  Fe  Fe4  1  0.911816  0.499343  0.434433  1
  Fe  Fe5  1  0.124635  0.692227  0.435323  1
  Fe  Fe6  1  0.624282  0.190816  0.435896  1
  Fe  Fe7  1  0.588801  0.809250  0.387156  1
  Fe  Fe8  1  0.086423  0.310064  0.387402  1
  Fe  Fe9  1  0.696979  0.925265  0.435609  1
  Fe  Fe10  1  0.195970  0.425885  0.435122  1
  Fe  Fe11  1  0.362657  0.984014  0.370490  1
  Fe  Fe12  1  0.860119  0.486682  0.371251  1
  Fe  Fe13  1  0.837104  0.709084  0.407715  1
  Fe  Fe14  1  0.336176  0.206430  0.407753  1
  Fe  Fe15  1  0.346122  0.781047  0.404159  1
  Fe  Fe16  1  0.843340  0.283093  0.404379  1
  Fe  Fe17  1  0.910720  0.776651  0.464819  1
  Fe  Fe18  1  0.411052  0.275871  0.464563  1
  Fe  Fe19  1  0.183631  0.779947  0.495611  1
  Fe  Fe20  1  0.683341  0.277140  0.497445  1
  Fe  Fe21  1  0.794656  0.528175  0.488224  1
  Fe  Fe22  1  0.296204  0.030019  0.487360  1
  Fe  Fe23  1  0.368103  0.567045  0.456500  1
  Fe  Fe24  1  0.866798  0.067712  0.456590  1
  Fe  Fe25  1  0.464201  0.781563  0.499413  1
  Fe  Fe26  1  0.958511  0.284267  0.499724  1
  Fe  Fe27  1  0.121371  0.947931  0.450675  1
  Fe  Fe28  1  0.619687  0.446511  0.451574  1
  Fe  Fe29  1  0.612391  0.706457  0.443032  1
  Fe  Fe30  1  0.107616  0.208836  0.442732  1
  Fe  Fe31  1  0.072910  0.545831  0.480798  1
  Fe  Fe32  1  0.574164  0.044857  0.481770  1
  Fe  Fe33  1  0.640071  0.617265  0.534513  1
  Fe  Fe34  1  0.144464  0.127740  0.533531  1
  Fe  Fe35  1  0.140262  0.605590  0.579378  1
  Fe  Fe36  1  0.665033  0.107411  0.582351  1
  Fe  Fe37  1  0.583965  0.344300  0.556152  1
  Fe  Fe38  1  0.101970  0.865267  0.551867  1
  Fe  Fe39  1  0.111557  0.390196  0.536675  1
  Fe  Fe40  1  0.628006  0.874192  0.538837  1
  Fe  Fe41  1  0.369860  0.669136  0.544193  1
  Fe  Fe42  1  0.877896  0.167758  0.545201  1
  Fe  Fe43  1  0.914958  0.699204  0.526509  1
  Fe  Fe44  1  0.404116  0.219795  0.522004  1
  Fe  Fe45  1  0.494596  0.476478  0.505304  1
  Fe  Fe46  1  0.996403  0.979899  0.504076  1
  Fe  Fe47  1  0.844681  0.429946  0.543627  1
  Fe  Fe48  1  0.350111  0.933059  0.541706  1
  Fe  Fe49  1  0.433420  0.557289  0.604315  1
  Fe  Fe50  1  0.942994  0.067534  0.603284  1
  Fe  Fe51  1  0.945901  0.330641  0.637475  1
  Fe  Fe52  1  0.439353  0.831192  0.637846  1
  Fe  Fe53  1  0.481464  0.275043  0.618896  1
  Fe  Fe54  1  0.992814  0.799457  0.607326  1
  Fe  Fe55  1  0.063005  0.311395  0.585296  1
  Fe  Fe56  1  0.544331  0.785279  0.585214  1
  Fe  Fe57  1  0.234910  0.403427  0.620922  1
  Fe  Fe58  1  0.729647  0.889608  0.619592  1
  Fe  Fe59  1  0.818184  0.687500  0.580037  1
  Fe  Fe60  1  0.344584  0.187739  0.576830  1
  Fe  Fe61  1  0.333708  0.421179  0.563303  1
  Fe  Fe62  1  0.852792  0.919699  0.561539  1
  Fe  Fe63  1  0.789408  0.294881  0.593689  1
  Fe  Fe64  1  0.283262  0.790874  0.592674  1
  Fe  Fe65  1  0.296908  0.291130  0.677948  1
  Fe  Fe66  1  0.766727  0.780072  0.678450  1
  Fe  Fe67  1  0.656384  0.162772  0.710659  1
  Fe  Fe68  1  0.153324  0.666105  0.710705  1
  Fe  Fe69  1  0.264241  0.033253  0.679138  1
  Fe  Fe70  1  0.810386  0.504204  0.691720  1
  Fe  Fe71  1  0.728458  0.141469  0.638941  1
  Fe  Fe72  1  0.224996  0.647482  0.638531  1
  Fe  Fe73  1  0.054514  0.244542  0.684919  1
  Fe  Fe74  1  0.506799  0.817149  0.693653  1
  Fe  Fe75  1  0.660644  0.413976  0.639859  1
  Fe  Fe76  1  0.153599  0.923825  0.636068  1
  Fe  Fe77  1  0.184130  0.174511  0.633202  1
  Fe  Fe78  1  0.661246  0.662869  0.638869  1
  Fe  Fe79  1  0.532130  0.045321  0.669786  1
  Fe  Fe80  1  0.040449  0.530677  0.671761  1
  Fe  Fe81  1  0.107882  0.106574  0.734377  1
  Fe  Fe82  1  0.613443  0.614674  0.726363  1
  Fe  Fe83  1  0.476778  0.851843  0.755849  1
  Fe  Fe84  1  0.846594  0.481246  0.755884  1
  Fe  Fe85  1  0.066309  0.849203  0.759474  1
  Fe  Fe86  1  0.640066  0.340824  0.756389  1
  Fe  Fe87  1  0.685455  0.906334  0.726079  1
  Fe  Fe88  1  0.065773  0.427252  0.722965  1
  Fe  Fe89  1  0.842682  0.069082  0.760045  1
  Fe  Fe90  1  0.337105  0.646537  0.755992  1
  Fe  Fe91  1  0.420079  0.071278  0.721780  1
  Fe  Fe92  1  0.897134  0.688953  0.725121  1
  Fe  Fe93  1  0.935239  0.941330  0.712499  1
  Fe  Fe94  1  0.434935  0.439279  0.718201  1
  Fe  Fe95  1  0.260026  0.878966  0.726224  1
  Fe  Fe96  1  0.874729  0.261324  0.727697  1
  P  P97  1  0.123411  0.106896  0.348105  1
  P  P98  1  0.623764  0.603749  0.348212  1
  P  P99  1  0.573329  0.059869  0.390564  1
  P  P100  1  0.073300  0.560334  0.390360  1
  P  P101  1  0.948358  0.901683  0.413282  1
  P  P102  1  0.446935  0.399511  0.413825  1
  P  P103  1  0.338969  0.801183  0.455529  1
  P  P104  1  0.835563  0.301808  0.455849  1
  P  P105  1  0.697029  0.782404  0.490522  1
  P  P106  1  0.191093  0.286079  0.489322  1
  P  P107  1  0.158170  0.604851  0.528328  1
  P  P108  1  0.659373  0.097041  0.529972  1
  P  P109  1  0.675011  0.528327  0.587410  1
  P  P110  1  0.187313  0.046037  0.585406  1
  P  P111  1  0.007636  0.554606  0.618394  1
  P  P112  1  0.515617  0.037522  0.615394  1
  P  P113  1  0.427019  0.451006  0.659103  1
  P  P114  1  0.915169  0.934277  0.653671  1
  P  P115  1  0.790949  0.278812  0.677926  1
  P  P116  1  0.278077  0.787449  0.677048  1
  P  P117  1  0.270621  0.279949  0.737420  1
  P  P118  1  0.718631  0.721477  0.769238  1
  P  P119  1  0.582475  0.085610  0.763594  1
  P  P120  1  0.080757  0.592174  0.763736  1
