data_[Li3B8C8]
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 [P2/m]
_cell_length_a [4.6840]
_cell_length_b [5.4052]
_cell_length_c [7.6053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li3(BC)8]
_chemical_formula_sum '[Li3 B8 C8]'
_cell_volume [192.5507]
_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
[
  Li  Li0  2  0.5000  0.2433  0.5000  1
  Li  Li1  1  0.0000  0.5000  0.5000  1
  B  B2  4  0.1666  0.2483  0.7300  1
  B  B3  2  0.3310  0.0000  0.2595  1
  B  B4  2  0.3338  0.5000  0.2619  1
  C  C5  4  0.1677  0.2507  0.2655  1
  C  C6  2  0.3305  0.5000  0.7207  1
  C  C7  2  0.3347  0.0000  0.7272  1
]