data_[Mn8Ni80B24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4464]
_cell_length_b [10.4464]
_cell_length_c [10.4464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [MnNi10B3]
_chemical_formula_sum '[Mn8 Ni80 B24]'
_cell_volume [1139.9785]
_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
[
  Mn  Mn0  8  0.2500  0.2500  0.2500  1
  Ni  Ni1  48  0.0000  0.1679  0.1679  1
  Ni  Ni2  32  0.1171  0.1171  0.3829  1
  B  B3  24  0.0000  0.0000  0.2717  1
]