# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65096744
_cell_length_b   8.75098289
_cell_length_c   48.19367737
_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   'Fe20 P40'
_cell_volume   2383.25056987
_cell_formula_units_Z   20
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  1.000480  0.166662  0.320044  1
  Fe  Fe2  1  0.988228  0.407776  0.281624  1
  Fe  Fe3  1  0.481405  0.798804  0.303729  1
  Fe  Fe4  1  0.516341  0.548583  0.340856  1
  Fe  Fe5  1  0.008179  0.606792  0.412082  1
  Fe  Fe6  1  1.002060  0.915442  0.362631  1
  Fe  Fe7  1  0.504060  0.239447  0.390282  1
  Fe  Fe8  1  0.503084  0.985676  0.433162  1
  Fe  Fe9  1  1.004088  0.058523  0.504260  1
  Fe  Fe10  1  0.999976  0.364578  0.454338  1
  Fe  Fe11  1  0.504076  0.732439  0.475865  1
  Fe  Fe12  1  0.500370  0.426951  0.526162  1
  Fe  Fe13  1  0.004625  0.552304  0.589992  1
  Fe  Fe14  1  0.004663  0.805271  0.547124  1
  Fe  Fe15  1  0.508848  0.183690  0.568205  1
  Fe  Fe16  1  0.505671  0.879402  0.618568  1
  Fe  Fe17  1  0.998529  0.000677  0.681982  1
  Fe  Fe18  1  0.012644  0.242168  0.639586  1
  Fe  Fe19  1  0.502889  0.625751  0.661221  1
  Fe  Fe20  1  0.523804  0.364721  0.699333  1
  P  P21  1  0.766156  0.328675  0.350631  1
  P  P22  1  0.759039  0.600316  0.299693  1
  P  P23  1  0.228688  0.001950  0.287695  1
  P  P24  1  0.206377  0.732194  0.334462  1
  P  P25  1  0.725692  0.961801  0.327326  1
  P  P26  1  0.737537  0.214165  0.279195  1
  P  P27  1  0.272252  0.106667  0.356650  1
  P  P28  1  0.285562  0.375051  0.310705  1
  P  P29  1  0.776434  0.779769  0.440709  1
  P  P30  1  0.774841  0.049083  0.395981  1
  P  P31  1  0.244551  0.462272  0.379175  1
  P  P32  1  0.232251  0.192581  0.425838  1
  P  P33  1  0.730664  0.411887  0.418269  1
  P  P34  1  0.740614  0.689121  0.373771  1
  P  P35  1  0.277395  0.560228  0.448113  1
  P  P36  1  0.266918  0.828081  0.401385  1
  P  P37  1  0.777537  0.231339  0.532069  1
  P  P38  1  0.763462  0.508138  0.487133  1
  P  P39  1  0.232214  0.924568  0.470590  1
  P  P40  1  0.240717  0.647013  0.515573  1
  P  P41  1  0.732147  0.866269  0.509792  1
  P  P42  1  0.739980  0.144139  0.464815  1
  P  P43  1  0.276237  0.012194  0.539597  1
  P  P44  1  0.263488  0.283688  0.493225  1
  P  P45  1  0.776877  0.688235  0.623503  1
  P  P46  1  0.768755  0.963920  0.578665  1
  P  P47  1  0.231101  0.378747  0.562194  1
  P  P48  1  0.246869  0.100705  0.607222  1
  P  P49  1  0.746310  0.325867  0.601209  1
  P  P50  1  0.732964  0.598149  0.554693  1
  P  P51  1  0.271758  0.467302  0.629055  1
  P  P52  1  0.277302  0.744539  0.584449  1
  P  P53  1  0.771376  0.154190  0.715142  1
  P  P54  1  0.792472  0.421638  0.667465  1
  P  P55  1  0.235164  0.827006  0.654065  1
  P  P56  1  0.253041  0.555729  0.701408  1
  P  P57  1  0.746142  0.777972  0.693451  1
  P  P58  1  0.733502  0.048561  0.646591  1
  P  P59  1  0.257012  0.930654  0.720003  1
  P  P60  1  0.280434  0.199713  0.675653  1
