# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12444087
_cell_length_b   8.21231899
_cell_length_c   50.20782833
_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   'Fe20 P20'
_cell_volume   1288.2779033
_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  0.252324  0.651263  0.344907  1
  Fe  Fe2  1  0.752324  0.426798  0.314454  1
  Fe  Fe3  1  0.752324  0.136368  0.346789  1
  Fe  Fe4  1  0.252324  0.943286  0.314117  1
  Fe  Fe5  1  0.252324  0.152425  0.428920  1
  Fe  Fe6  1  0.752324  0.931478  0.396130  1
  Fe  Fe7  1  0.752324  0.642022  0.430542  1
  Fe  Fe8  1  0.252324  0.442244  0.394426  1
  Fe  Fe9  1  0.252324  0.658647  0.512123  1
  Fe  Fe10  1  0.752324  0.437857  0.479179  1
  Fe  Fe11  1  0.752324  0.148848  0.513809  1
  Fe  Fe12  1  0.252324  0.947656  0.477493  1
  Fe  Fe13  1  0.252324  0.165027  0.595172  1
  Fe  Fe14  1  0.752324  0.944080  0.562382  1
  Fe  Fe15  1  0.752324  0.654261  0.596876  1
  Fe  Fe16  1  0.252324  0.454483  0.560761  1
  Fe  Fe17  1  0.252324  0.669707  0.676848  1
  Fe  Fe18  1  0.752324  0.445242  0.646396  1
  Fe  Fe19  1  0.752324  0.153219  0.677186  1
  Fe  Fe20  1  0.252324  0.960137  0.644513  1
  P  P21  1  0.252324  0.940866  0.358473  1
  P  P22  1  0.752324  0.142925  0.298211  1
  P  P23  1  0.752324  0.712474  0.309059  1
  P  P24  1  0.252324  0.365835  0.345713  1
  P  P25  1  0.252324  0.448304  0.441254  1
  P  P26  1  0.752324  0.635635  0.383488  1
  P  P27  1  0.752324  0.213288  0.396335  1
  P  P28  1  0.252324  0.869906  0.428417  1
  P  P29  1  0.252324  0.955078  0.524437  1
  P  P30  1  0.752324  0.141427  0.466865  1
  P  P31  1  0.752324  0.719903  0.479724  1
  P  P32  1  0.252324  0.376602  0.511579  1
  P  P33  1  0.252324  0.460870  0.607814  1
  P  P34  1  0.752324  0.648201  0.550048  1
  P  P35  1  0.752324  0.226599  0.562885  1
  P  P36  1  0.252324  0.883217  0.594967  1
  P  P37  1  0.252324  0.953580  0.693091  1
  P  P38  1  0.752324  0.155639  0.632829  1
  P  P39  1  0.752324  0.730670  0.645589  1
  P  P40  1  0.252324  0.384031  0.682243  1
