# generated using pymatgen
data_Fe4Ni4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.69800000
_cell_length_b   3.69800000
_cell_length_c   6.89400000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Ni4B
_chemical_formula_sum   'Fe4 Ni4 B1'
_cell_volume   94.27685638
_cell_formula_units_Z   1
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  0.00000000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni4  1  0.00000000  0.00000000  0.72388000  1
  Ni  Ni5  1  0.50000000  0.50000000  0.74152000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.27612000  1
  Ni  Ni7  1  0.50000000  0.50000000  0.25848000  1
  B  B8  1  0.00000000  0.00000000  0.00000000  1
