# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65497790
_cell_length_b   12.27871852
_cell_length_c   50.00403836
_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   'Fe28 P56'
_cell_volume   3472.07449934
_cell_formula_units_Z   28
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  0.989345  0.721746  0.286225  1
  Fe  Fe2  1  0.051166  0.167916  0.314031  1
  Fe  Fe3  1  0.509369  0.900483  0.328549  1
  Fe  Fe4  1  0.497999  0.426607  0.299678  1
  Fe  Fe5  1  0.992085  0.646446  0.336908  1
  Fe  Fe6  1  1.000978  0.104869  0.369224  1
  Fe  Fe7  1  0.503733  0.835055  0.386995  1
  Fe  Fe8  1  0.521766  0.376040  0.352830  1
  Fe  Fe9  1  0.008913  0.561849  0.405036  1
  Fe  Fe10  1  1.000334  0.027269  0.436790  1
  Fe  Fe11  1  0.502395  0.770963  0.445100  1
  Fe  Fe12  1  0.502015  0.292484  0.422059  1
  Fe  Fe13  1  0.998260  0.503120  0.462419  1
  Fe  Fe14  1  0.007515  0.962608  0.493648  1
  Fe  Fe15  1  0.501961  0.692665  0.515202  1
  Fe  Fe16  1  0.507440  0.232004  0.481451  1
  Fe  Fe17  1  1.001431  0.422485  0.532075  1
  Fe  Fe18  1  0.995657  0.893482  0.563622  1
  Fe  Fe19  1  0.497165  0.631218  0.572406  1
  Fe  Fe20  1  0.496736  0.163393  0.540002  1
  Fe  Fe21  1  1.000182  0.358149  0.590446  1
  Fe  Fe22  1  0.006078  0.826133  0.622352  1
  Fe  Fe23  1  0.491143  0.555954  0.639590  1
  Fe  Fe24  1  0.502248  0.089394  0.610226  1
  Fe  Fe25  1  0.010101  0.294207  0.649712  1
  Fe  Fe26  1  0.963621  0.759026  0.679258  1
  Fe  Fe27  1  0.500875  0.493211  0.692900  1
  Fe  Fe28  1  0.509633  0.032767  0.667293  1
  P  P29  1  0.763711  0.870262  0.286894  1
  P  P30  1  0.794560  0.323795  0.317296  1
  P  P31  1  0.252978  0.010431  0.297724  1
  P  P32  1  0.230772  0.481816  0.329090  1
  P  P33  1  0.742813  0.063707  0.332649  1
  P  P34  1  0.744704  0.586715  0.298939  1
  P  P35  1  0.299900  0.742615  0.312905  1
  P  P36  1  0.293623  0.276347  0.282431  1
  P  P37  1  0.776099  0.796953  0.351421  1
  P  P38  1  0.773462  0.263535  0.382160  1
  P  P39  1  0.235862  0.942595  0.360930  1
  P  P40  1  0.248629  0.407222  0.391787  1
  P  P41  1  0.738028  0.997685  0.397283  1
  P  P42  1  0.746445  0.531530  0.365363  1
  P  P43  1  0.267667  0.673469  0.375777  1
  P  P44  1  0.294768  0.210562  0.347259  1
  P  P45  1  0.774544  0.724344  0.412398  1
  P  P46  1  0.774822  0.189836  0.445202  1
  P  P47  1  0.229163  0.874936  0.422496  1
  P  P48  1  0.233190  0.340658  0.455442  1
  P  P49  1  0.729094  0.921257  0.459855  1
  P  P50  1  0.732092  0.455983  0.428480  1
  P  P51  1  0.276433  0.608483  0.439039  1
  P  P52  1  0.263980  0.139358  0.408590  1
  P  P53  1  0.762225  0.658800  0.475757  1
  P  P54  1  0.774056  0.119762  0.507311  1
  P  P55  1  0.242473  0.801954  0.485616  1
  P  P56  1  0.230916  0.271439  0.517212  1
  P  P57  1  0.740325  0.856071  0.523022  1
  P  P58  1  0.739310  0.391963  0.491995  1
  P  P59  1  0.260708  0.536529  0.501835  1
  P  P60  1  0.276885  0.071630  0.470770  1
  P  P61  1  0.773005  0.585075  0.538540  1
  P  P62  1  0.759078  0.053776  0.570577  1
  P  P63  1  0.226775  0.738888  0.548933  1
  P  P64  1  0.237537  0.196958  0.580047  1
  P  P65  1  0.729514  0.785102  0.585773  1
  P  P66  1  0.728275  0.316708  0.554747  1
  P  P67  1  0.270931  0.468694  0.564854  1
  P  P68  1  0.261708  1.000311  0.533400  1
  P  P69  1  0.761289  0.519768  0.601259  1
  P  P70  1  0.776563  0.986106  0.633454  1
  P  P71  1  0.230521  0.664775  0.611416  1
  P  P72  1  0.234576  0.135263  0.643348  1
  P  P73  1  0.717056  0.718491  0.646363  1
  P  P74  1  0.730596  0.251990  0.617081  1
  P  P75  1  0.269154  0.400923  0.626197  1
  P  P76  1  0.272960  0.933586  0.597293  1
  P  P77  1  0.778235  0.448281  0.663529  1
  P  P78  1  0.761811  0.915191  0.696325  1
  P  P79  1  0.218531  0.603341  0.675638  1
  P  P80  1  0.257923  0.062903  0.705418  1
  P  P81  1  0.717283  0.646959  0.710521  1
  P  P82  1  0.752035  0.186195  0.681097  1
  P  P83  1  0.265941  0.332365  0.690173  1
  P  P84  1  0.268480  0.865470  0.660693  1
