# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49404295
_cell_length_b   6.76411797
_cell_length_c   45.46063959
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.62940213
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe16 P32'
_cell_volume   1942.79822445
_cell_formula_units_Z   16
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  0.937040  0.111994  0.286998  1
  Fe  Fe2  1  0.417432  0.507580  0.316295  1
  Fe  Fe3  1  0.806637  0.930855  0.336365  1
  Fe  Fe4  1  0.212716  0.341755  0.365358  1
  Fe  Fe5  1  0.632973  0.751207  0.389774  1
  Fe  Fe6  1  0.029454  0.156710  0.416538  1
  Fe  Fe7  1  0.409071  0.545142  0.452660  1
  Fe  Fe8  1  0.807077  0.954911  0.479042  1
  Fe  Fe9  1  0.219539  0.370810  0.504754  1
  Fe  Fe10  1  0.631363  0.787238  0.530568  1
  Fe  Fe11  1  0.030131  0.196958  0.556958  1
  Fe  Fe12  1  0.409222  0.583872  0.592987  1
  Fe  Fe13  1  0.809094  0.991317  0.619676  1
  Fe  Fe14  1  0.226123  0.404505  0.644768  1
  Fe  Fe15  1  0.629104  0.813965  0.670699  1
  Fe  Fe16  1  0.021710  0.235987  0.693821  1
  P  P17  1  0.731144  0.446290  0.286126  1
  P  P18  1  0.066586  0.610232  0.327587  1
  P  P19  1  0.660438  0.965484  0.285340  1
  P  P20  1  0.104007  0.106532  0.329675  1
  P  P21  1  0.562931  0.251027  0.346060  1
  P  P22  1  0.876737  0.428779  0.385258  1
  P  P23  1  0.522942  0.758975  0.342192  1
  P  P24  1  0.915620  0.914918  0.386912  1
  P  P25  1  0.369604  0.062839  0.399191  1
  P  P26  1  0.680400  0.232654  0.442326  1
  P  P27  1  0.342157  0.570087  0.399019  1
  P  P28  1  0.697045  0.729853  0.443645  1
  P  P29  1  0.155833  0.878421  0.454451  1
  P  P30  1  0.467953  0.050469  0.498159  1
  P  P31  1  0.130403  0.380216  0.452979  1
  P  P32  1  0.504636  0.543469  0.501009  1
  P  P33  1  0.970982  0.691076  0.511322  1
  P  P34  1  0.282484  0.863345  0.555054  1
  P  P35  1  0.934331  0.198312  0.508502  1
  P  P36  1  0.308999  0.360805  0.556533  1
  P  P37  1  0.759002  0.509206  0.567098  1
  P  P38  1  0.070072  0.677779  0.610384  1
  P  P39  1  0.743153  0.011609  0.565833  1
  P  P40  1  0.096061  0.173411  0.610777  1
  P  P41  1  0.563577  0.312511  0.623944  1
  P  P42  1  0.873471  0.492141  0.664013  1
  P  P43  1  0.523051  0.826767  0.621819  1
  P  P44  1  0.920678  0.976598  0.667497  1
  P  P45  1  0.368268  0.127855  0.680811  1
  P  P46  1  0.719539  0.285954  0.721683  1
  P  P47  1  0.345352  0.628675  0.680362  1
  P  P48  1  0.720222  0.782919  0.721684  1
