# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46502067
_cell_length_b   8.12973140
_cell_length_c   49.32898415
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe21 Ni21'
_cell_volume   988.550667976
_cell_formula_units_Z   21
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  0.501681  0.293979  0.289479  1
  Fe  Fe2  1  0.501681  0.018512  0.310093  1
  Fe  Fe3  1  0.501681  0.742275  0.331848  1
  Fe  Fe4  1  0.501681  0.467052  0.352165  1
  Fe  Fe5  1  0.501681  0.191574  0.373091  1
  Fe  Fe6  1  0.501681  0.916215  0.393711  1
  Fe  Fe7  1  0.501681  0.640360  0.414832  1
  Fe  Fe8  1  0.501681  0.364852  0.435582  1
  Fe  Fe9  1  0.501681  0.089480  0.456396  1
  Fe  Fe10  1  0.501681  0.814068  0.477156  1
  Fe  Fe11  1  0.501681  0.538449  0.498057  1
  Fe  Fe12  1  0.501681  0.262829  0.518958  1
  Fe  Fe13  1  0.501681  0.987417  0.539718  1
  Fe  Fe14  1  0.501681  0.712046  0.560532  1
  Fe  Fe15  1  0.501681  0.436537  0.581283  1
  Fe  Fe16  1  0.501681  0.160682  0.602404  1
  Fe  Fe17  1  0.501681  0.885323  0.623023  1
  Fe  Fe18  1  0.501681  0.609845  0.643950  1
  Fe  Fe19  1  0.501681  0.334622  0.664267  1
  Fe  Fe20  1  0.501681  0.058385  0.686022  1
  Fe  Fe21  1  0.501681  0.782918  0.706636  1
  Ni  Ni22  1  0.001681  0.519040  0.310327  1
  Ni  Ni23  1  1.001681  0.242392  0.331432  1
  Ni  Ni24  1  0.001681  0.791477  0.290321  1
  Ni  Ni25  1  1.001681  0.691071  0.373252  1
  Ni  Ni26  1  1.001681  0.416010  0.393901  1
  Ni  Ni27  1  1.001681  0.967755  0.351976  1
  Ni  Ni28  1  1.001681  0.865214  0.435464  1
  Ni  Ni29  1  1.001681  0.589370  0.456428  1
  Ni  Ni30  1  0.001681  0.140376  0.414725  1
  Ni  Ni31  1  1.001681  0.038449  0.498057  1
  Ni  Ni32  1  1.001681  0.763028  0.518848  1
  Ni  Ni33  1  0.001681  0.313870  0.477267  1
  Ni  Ni34  1  1.001681  0.211683  0.560650  1
  Ni  Ni35  1  1.001681  0.936521  0.581390  1
  Ni  Ni36  1  1.001681  0.487528  0.539686  1
  Ni  Ni37  1  1.001681  0.385826  0.622863  1
  Ni  Ni38  1  1.001681  0.109142  0.644138  1
  Ni  Ni39  1  1.001681  0.660887  0.602214  1
  Ni  Ni40  1  1.001681  0.557857  0.685787  1
  Ni  Ni41  1  1.001681  0.285420  0.705794  1
  Ni  Ni42  1  1.001681  0.834505  0.664683  1
