# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.20453967
_cell_length_b   4.39661341
_cell_length_c   55.29572032
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P
_chemical_formula_sum   'Fe72 P24'
_cell_volume   2237.75158887
_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  0.964862  0.993479  0.357517  1
  Fe  Fe2  1  0.860553  0.502621  0.328387  1
  Fe  Fe3  1  0.141884  0.503959  0.340013  1
  Fe  Fe4  1  0.032500  0.998963  0.310576  1
  Fe  Fe5  1  0.276494  0.260982  0.304839  1
  Fe  Fe6  1  0.167565  0.239434  0.380461  1
  Fe  Fe7  1  0.827903  0.257208  0.287596  1
  Fe  Fe8  1  0.717878  0.254661  0.361245  1
  Fe  Fe9  1  0.599424  0.725186  0.346086  1
  Fe  Fe10  1  0.924345  0.780504  0.267260  1
  Fe  Fe11  1  0.079122  0.766519  0.400173  1
  Fe  Fe12  1  0.400009  0.729003  0.319894  1
  Fe  Fe13  1  0.463362  0.491670  0.274653  1
  Fe  Fe14  1  0.361209  0.001847  0.410657  1
  Fe  Fe15  1  0.645631  0.028857  0.261181  1
  Fe  Fe16  1  0.537874  0.491862  0.393463  1
  Fe  Fe17  1  0.782198  0.755012  0.389614  1
  Fe  Fe18  1  0.665401  0.732086  0.297709  1
  Fe  Fe19  1  0.336221  0.740078  0.369633  1
  Fe  Fe20  1  0.213386  0.751264  0.276384  1
  Fe  Fe21  1  0.082148  0.240514  0.264103  1
  Fe  Fe22  1  0.424905  0.268939  0.349242  1
  Fe  Fe23  1  0.579258  0.251842  0.314680  1
  Fe  Fe24  1  0.900223  0.228670  0.404161  1
  Fe  Fe25  1  0.963616  0.992777  0.523607  1
  Fe  Fe26  1  0.860843  0.502637  0.494082  1
  Fe  Fe27  1  0.140968  0.502637  0.506487  1
  Fe  Fe28  1  0.038195  0.992777  0.476963  1
  Fe  Fe29  1  0.283134  0.255866  0.472765  1
  Fe  Fe30  1  0.165829  0.239714  0.547311  1
  Fe  Fe31  1  0.835982  0.239714  0.453259  1
  Fe  Fe32  1  0.718676  0.255866  0.527804  1
  Fe  Fe33  1  0.601357  0.729088  0.513199  1
  Fe  Fe34  1  0.923833  0.766690  0.433714  1
  Fe  Fe35  1  0.077977  0.766690  0.566856  1
  Fe  Fe36  1  0.400453  0.729088  0.487371  1
  Fe  Fe37  1  0.463603  0.492426  0.440173  1
  Fe  Fe38  1  0.361540  0.002727  0.577532  1
  Fe  Fe39  1  0.640270  0.002727  0.423038  1
  Fe  Fe40  1  0.538207  0.492426  0.560397  1
  Fe  Fe41  1  0.782928  0.755635  0.556184  1
  Fe  Fe42  1  0.665747  0.739845  0.463924  1
  Fe  Fe43  1  0.336063  0.739845  0.536646  1
  Fe  Fe44  1  0.218882  0.755635  0.444386  1
  Fe  Fe45  1  0.101819  0.229201  0.429851  1
  Fe  Fe46  1  0.423597  0.266559  0.517040  1
  Fe  Fe47  1  0.578213  0.266559  0.483530  1
  Fe  Fe48  1  0.899991  0.229201  0.570719  1
  Fe  Fe49  1  0.969310  0.998963  0.689993  1
  Fe  Fe50  1  0.859926  0.503959  0.660557  1
  Fe  Fe51  1  0.141258  0.502621  0.672183  1
  Fe  Fe52  1  0.036949  0.993479  0.643053  1
  Fe  Fe53  1  0.283932  0.254661  0.639325  1
  Fe  Fe54  1  0.173907  0.257208  0.712974  1
  Fe  Fe55  1  0.834246  0.239434  0.620109  1
  Fe  Fe56  1  0.725317  0.260982  0.695731  1
  Fe  Fe57  1  0.601802  0.729003  0.680675  1
  Fe  Fe58  1  0.922689  0.766519  0.600396  1
  Fe  Fe59  1  0.077465  0.780504  0.733310  1
  Fe  Fe60  1  0.402387  0.725186  0.654484  1
  Fe  Fe61  1  0.463936  0.491862  0.607107  1
  Fe  Fe62  1  0.356179  0.028857  0.739388  1
  Fe  Fe63  1  0.640602  0.001847  0.589912  1
  Fe  Fe64  1  0.538449  0.491670  0.725917  1
  Fe  Fe65  1  0.788424  0.751264  0.724186  1
  Fe  Fe66  1  0.665590  0.740078  0.630937  1
  Fe  Fe67  1  0.336410  0.732086  0.702861  1
  Fe  Fe68  1  0.219613  0.755012  0.610956  1
  Fe  Fe69  1  0.101588  0.228670  0.596409  1
  Fe  Fe70  1  0.422552  0.251842  0.685890  1
  Fe  Fe71  1  0.576905  0.268939  0.651327  1
  Fe  Fe72  1  0.919663  0.240514  0.736466  1
  P  P73  1  0.045873  0.503695  0.299992  1
  P  P74  1  0.210014  0.001394  0.341165  1
  P  P75  1  0.792035  0.997563  0.326436  1
  P  P76  1  0.952516  0.495532  0.368659  1
  P  P77  1  0.548634  0.994641  0.381816  1
  P  P78  1  0.707380  0.526970  0.254744  1
  P  P79  1  0.293028  0.499535  0.408705  1
  P  P80  1  0.439717  0.991369  0.283850  1
  P  P81  1  0.049641  0.495475  0.465551  1
  P  P82  1  0.209356  0.000045  0.508390  1
  P  P83  1  0.792454  0.000045  0.492180  1
  P  P84  1  0.952170  0.495475  0.535019  1
  P  P85  1  0.549541  0.995243  0.548916  1
  P  P86  1  0.709174  0.500044  0.425060  1
  P  P87  1  0.292637  0.500044  0.575509  1
  P  P88  1  0.452270  0.995243  0.451653  1
  P  P89  1  0.049294  0.495532  0.631911  1
  P  P90  1  0.209776  0.997563  0.674134  1
  P  P91  1  0.791797  0.001394  0.659405  1
  P  P92  1  0.955937  0.503695  0.700578  1
  P  P93  1  0.562094  0.991369  0.716720  1
  P  P94  1  0.708783  0.499535  0.591865  1
  P  P95  1  0.294430  0.526970  0.745826  1
  P  P96  1  0.453176  0.994641  0.618753  1
