# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82317433
_cell_length_b   6.70211392
_cell_length_c   49.83049315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe32 P32'
_cell_volume   1944.76344634
_cell_formula_units_Z   32
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  0.000381  0.182136  0.285352  1
  Fe  Fe2  1  0.993070  0.389155  0.333434  1
  Fe  Fe3  1  0.499734  0.682136  0.285352  1
  Fe  Fe4  1  0.507045  0.889155  0.333434  1
  Fe  Fe5  1  0.004466  0.969195  0.335401  1
  Fe  Fe6  1  0.991999  0.174769  0.387371  1
  Fe  Fe7  1  0.495649  0.469195  0.335401  1
  Fe  Fe8  1  0.508116  0.674769  0.387371  1
  Fe  Fe9  1  0.009585  0.737869  0.392431  1
  Fe  Fe10  1  0.990019  0.955236  0.442811  1
  Fe  Fe11  1  0.490530  0.237869  0.392431  1
  Fe  Fe12  1  0.510097  0.455236  0.442811  1
  Fe  Fe13  1  0.009923  0.520743  0.447369  1
  Fe  Fe14  1  0.990234  0.735373  0.498322  1
  Fe  Fe15  1  0.490193  0.020743  0.447369  1
  Fe  Fe16  1  0.509881  0.235373  0.498322  1
  Fe  Fe17  1  0.009881  0.300522  0.503002  1
  Fe  Fe18  1  0.990193  0.515151  0.553956  1
  Fe  Fe19  1  0.490234  0.800522  0.503002  1
  Fe  Fe20  1  0.509923  0.015151  0.553956  1
  Fe  Fe21  1  0.010097  0.080659  0.558514  1
  Fe  Fe22  1  0.990530  0.298025  0.608894  1
  Fe  Fe23  1  0.490019  0.580659  0.558514  1
  Fe  Fe24  1  0.509585  0.798025  0.608894  1
  Fe  Fe25  1  0.008116  0.861125  0.613954  1
  Fe  Fe26  1  0.995649  0.066700  0.665923  1
  Fe  Fe27  1  0.491999  0.361125  0.613954  1
  Fe  Fe28  1  0.504466  0.566700  0.665923  1
  Fe  Fe29  1  0.007045  0.646739  0.667891  1
  Fe  Fe30  1  0.999734  0.853759  0.715972  1
  Fe  Fe31  1  0.493070  0.146739  0.667891  1
  Fe  Fe32  1  0.500381  0.353759  0.715972  1
  P  P33  1  0.210236  0.683515  0.313446  1
  P  P34  1  0.753266  0.930681  0.293206  1
  P  P35  1  0.289880  0.183515  0.313446  1
  P  P36  1  0.746849  0.430681  0.293206  1
  P  P37  1  0.235362  0.453058  0.370832  1
  P  P38  1  0.772435  0.686486  0.352200  1
  P  P39  1  0.264754  0.953058  0.370832  1
  P  P40  1  0.727680  0.186486  0.352200  1
  P  P41  1  0.230959  0.232798  0.426853  1
  P  P42  1  0.768417  0.462538  0.407678  1
  P  P43  1  0.269156  0.732798  0.426853  1
  P  P44  1  0.731698  0.962538  0.407678  1
  P  P45  1  0.231749  0.012699  0.482420  1
  P  P46  1  0.768692  0.243287  0.463334  1
  P  P47  1  0.268366  0.512699  0.482420  1
  P  P48  1  0.731423  0.743287  0.463334  1
  P  P49  1  0.231423  0.792608  0.537990  1
  P  P50  1  0.768366  0.023195  0.518904  1
  P  P51  1  0.268692  0.292608  0.537990  1
  P  P52  1  0.731749  0.523195  0.518904  1
  P  P53  1  0.231698  0.573356  0.593647  1
  P  P54  1  0.769156  0.803097  0.574471  1
  P  P55  1  0.268417  0.073356  0.593647  1
  P  P56  1  0.730959  0.303097  0.574471  1
  P  P57  1  0.227680  0.349408  0.649124  1
  P  P58  1  0.764754  0.582836  0.630492  1
  P  P59  1  0.272435  0.849408  0.649124  1
  P  P60  1  0.735362  0.082836  0.630492  1
  P  P61  1  0.246849  0.105213  0.708118  1
  P  P62  1  0.789880  0.352380  0.687878  1
  P  P63  1  0.253266  0.605213  0.708118  1
  P  P64  1  0.710236  0.852380  0.687878  1
