# generated using pymatgen
data_Fe2Ni2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35500000
_cell_length_b   3.35500000
_cell_length_c   17.41600000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Ni2B
_chemical_formula_sum   'Fe8 Ni8 B4'
_cell_volume   196.03493140
_cell_formula_units_Z   4
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  Fe0  1  0.00000000  0.50000000  0.10448000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.89552000  1
  Fe  Fe2  1  0.50000000  0.00000000  0.89552000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.10448000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.60448000  1
  Fe  Fe5  1  0.50000000  0.00000000  0.39552000  1
  Fe  Fe6  1  0.00000000  0.50000000  0.39552000  1
  Fe  Fe7  1  0.00000000  0.50000000  0.60448000  1
  Ni  Ni8  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni9  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni10  1  0.00000000  0.00000000  0.78844000  1
  Ni  Ni11  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni12  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni13  1  0.00000000  0.00000000  0.21156000  1
  Ni  Ni14  1  0.50000000  0.50000000  0.28844000  1
  Ni  Ni15  1  0.50000000  0.50000000  0.71156000  1
  B  B16  1  0.00000000  0.00000000  0.67442000  1
  B  B17  1  0.00000000  0.00000000  0.32558000  1
  B  B18  1  0.50000000  0.50000000  0.17442000  1
  B  B19  1  0.50000000  0.50000000  0.82558000  1
