data_[Li8Ni24B4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.5901]
_cell_length_b [7.5901]
_cell_length_c [7.5901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Li2Ni6BC]
_chemical_formula_sum '[Li8 Ni24 B4 C4]'
_cell_volume [437.2591]
_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
[
  Li  Li0  8  0.2500  0.2500  0.2500  1.0
  Ni  Ni1  24  0.0000  0.0000  0.2467  1.0
  B  B2  4  0.0000  0.0000  0.5000  1.0
  C  C3  4  0.0000  0.0000  0.0000  1.0
]