# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91324573
_cell_length_b   11.06312156
_cell_length_c   54.91676374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe30 P60'
_cell_volume   3592.59736854
_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  0.995497  0.824521  0.272139  1
  Fe  Fe2  1  0.023415  0.346317  0.319557  1
  Fe  Fe3  1  0.010506  0.584922  0.294878  1
  Fe  Fe4  1  0.498264  0.066890  0.296323  1
  Fe  Fe5  1  0.515862  0.565714  0.356041  1
  Fe  Fe6  1  0.498459  0.845429  0.322202  1
  Fe  Fe7  1  0.989591  0.066082  0.355241  1
  Fe  Fe8  1  0.991622  0.559377  0.416493  1
  Fe  Fe9  1  0.019915  0.839915  0.381891  1
  Fe  Fe10  1  0.492632  0.338388  0.381299  1
  Fe  Fe11  1  0.491047  0.832765  0.443008  1
  Fe  Fe12  1  0.518356  0.059330  0.416974  1
  Fe  Fe13  1  0.019264  0.332707  0.442622  1
  Fe  Fe14  1  0.019290  0.825062  0.503791  1
  Fe  Fe15  1  0.990890  0.051753  0.477743  1
  Fe  Fe16  1  0.519290  0.551686  0.477394  1
  Fe  Fe17  1  0.519264  0.044041  0.538563  1
  Fe  Fe18  1  0.490890  0.324995  0.503442  1
  Fe  Fe19  1  0.991047  0.543984  0.538178  1
  Fe  Fe20  1  0.992632  0.038360  0.599886  1
  Fe  Fe21  1  0.018356  0.317418  0.564211  1
  Fe  Fe22  1  0.491622  0.817371  0.564692  1
  Fe  Fe23  1  0.489591  0.310667  0.625944  1
  Fe  Fe24  1  0.519915  0.536834  0.599294  1
  Fe  Fe25  1  0.015862  0.811035  0.625144  1
  Fe  Fe26  1  0.998264  0.309859  0.684862  1
  Fe  Fe27  1  0.998459  0.531320  0.658983  1
  Fe  Fe28  1  0.523415  0.030431  0.661628  1
  Fe  Fe29  1  0.495497  0.552228  0.709046  1
  Fe  Fe30  1  0.510506  0.791826  0.686307  1
  P  P31  1  0.640334  0.878370  0.281523  1
  P  P32  1  0.666493  0.378217  0.342895  1
  P  P33  1  0.658377  0.638620  0.316920  1
  P  P34  1  0.342939  0.034312  0.333555  1
  P  P35  1  0.352289  0.278096  0.298573  1
  P  P36  1  0.348964  0.552371  0.272821  1
  P  P37  1  0.157312  0.022547  0.271352  1
  P  P38  1  0.167527  0.526320  0.333237  1
  P  P39  1  0.154104  0.780655  0.307049  1
  P  P40  1  0.853409  0.136794  0.314047  1
  P  P41  1  0.849907  0.403039  0.282157  1
  P  P42  1  0.832697  0.886545  0.345074  1
  P  P43  1  0.657162  0.132914  0.376704  1
  P  P44  1  0.656517  0.625435  0.437200  1
  P  P45  1  0.670088  0.876148  0.405433  1
  P  P46  1  0.354178  0.266348  0.421990  1
  P  P47  1  0.343923  0.522141  0.393785  1
  P  P48  1  0.354682  0.773549  0.362925  1
  P  P49  1  0.153839  0.272481  0.360836  1
  P  P50  1  0.157263  0.765901  0.422381  1
  P  P51  1  0.166622  0.024756  0.393952  1
  P  P52  1  0.844171  0.374851  0.404489  1
  P  P53  1  0.854321  0.632917  0.376271  1
  P  P54  1  0.854215  0.125742  0.437445  1
  P  P55  1  0.666545  0.367416  0.465486  1
  P  P56  1  0.666769  0.860233  0.526630  1
  P  P57  1  0.655940  0.117728  0.498220  1
  P  P58  1  0.343694  0.509103  0.515344  1
  P  P59  1  0.354020  0.758812  0.483119  1
  P  P60  1  0.343156  0.017032  0.454813  1
  P  P61  1  0.166769  0.516515  0.454555  1
  P  P62  1  0.166545  0.009333  0.515699  1
  P  P63  1  0.155940  0.259020  0.482965  1
  P  P64  1  0.854020  0.617937  0.498066  1
  P  P65  1  0.843694  0.867645  0.465841  1
  P  P66  1  0.843156  0.359717  0.526372  1
  P  P67  1  0.657263  0.610847  0.558804  1
  P  P68  1  0.653839  0.104267  0.620349  1
  P  P69  1  0.666622  0.351993  0.587233  1
  P  P70  1  0.354321  0.743831  0.604914  1
  P  P71  1  0.344171  1.001898  0.576696  1
  P  P72  1  0.354215  0.251006  0.543740  1
  P  P73  1  0.156517  0.751313  0.543985  1
  P  P74  1  0.157162  0.243834  0.604481  1
  P  P75  1  0.170088  0.500600  0.575753  1
  P  P76  1  0.843923  0.854607  0.587400  1
  P  P77  1  0.854178  0.110400  0.559195  1
  P  P78  1  0.854682  0.603199  0.618260  1
  P  P79  1  0.667527  0.850428  0.647948  1
  P  P80  1  0.657312  0.354201  0.709833  1
  P  P81  1  0.654104  0.596093  0.674136  1
  P  P82  1  0.349907  0.973710  0.699028  1
  P  P83  1  0.353409  0.239955  0.667138  1
  P  P84  1  0.332697  0.490204  0.636111  1
  P  P85  1  0.166493  0.998531  0.638290  1
  P  P86  1  0.140334  0.498379  0.699662  1
  P  P87  1  0.158377  0.738128  0.664266  1
  P  P88  1  0.852289  0.098652  0.682613  1
  P  P89  1  0.842939  0.342436  0.647631  1
  P  P90  1  0.848964  0.824377  0.708364  1
