data_[Li4B8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.3996]
_cell_length_b [4.6949]
_cell_length_c [7.3101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Li(BC)2]
_chemical_formula_sum '[Li4 B8 C8]'
_cell_volume [185.3142]
_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  4  0.3588  0.7500  0.0000  1
  B  B1  4  0.1217  0.5795  0.2500  1
  B  B2  4  0.3726  0.0842  0.2500  1
  C  C3  4  0.1262  0.5869  0.7500  1
  C  C4  4  0.3760  0.0801  0.7500  1
]