# generated using pymatgen
data_FeNiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18965132
_cell_length_b   7.03533038
_cell_length_c   7.20382117
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiB
_chemical_formula_sum   'Fe8 Ni8 B8'
_cell_volume   212.33681594
_cell_formula_units_Z   8
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  0.50000000  0.33205600  0.50000000  1
  Fe  Fe1  1  0.00000000  0.16794400  0.50000000  1
  Fe  Fe2  1  0.50000000  0.83205600  0.00000000  1
  Fe  Fe3  1  0.00000000  0.66794400  0.00000000  1
  Fe  Fe4  1  0.00000000  0.33205600  0.00000000  1
  Fe  Fe5  1  0.50000000  0.16794400  0.00000000  1
  Fe  Fe6  1  0.00000000  0.83205600  0.50000000  1
  Fe  Fe7  1  0.50000000  0.66794400  0.50000000  1
  Ni  Ni8  1  0.00000000  0.50000000  0.66868500  1
  Ni  Ni9  1  0.50000000  0.00000000  0.33131500  1
  Ni  Ni10  1  0.00000000  0.00000000  0.16868500  1
  Ni  Ni11  1  0.50000000  0.50000000  0.83131500  1
  Ni  Ni12  1  0.50000000  0.50000000  0.16868500  1
  Ni  Ni13  1  0.00000000  0.00000000  0.83131500  1
  Ni  Ni14  1  0.50000000  0.00000000  0.66868500  1
  Ni  Ni15  1  0.00000000  0.50000000  0.33131500  1
  B  B16  1  0.75000000  0.25000000  0.25000000  1
  B  B17  1  0.25000000  0.25000000  0.25000000  1
  B  B18  1  0.75000000  0.75000000  0.75000000  1
  B  B19  1  0.25000000  0.75000000  0.75000000  1
  B  B20  1  0.25000000  0.25000000  0.75000000  1
  B  B21  1  0.75000000  0.25000000  0.75000000  1
  B  B22  1  0.25000000  0.75000000  0.25000000  1
  B  B23  1  0.75000000  0.75000000  0.25000000  1
