data_[Li6B8C8]
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 [8.6222]
_cell_length_b [2.7222]
_cell_length_c [8.7392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li3(BC)4]
_chemical_formula_sum '[Li6 B8 C8]'
_cell_volume [186.8947]
_cell_formula_units_Z [2]
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  0.2257  0.0000  0.7256  1
  Li  Li1  2  0.2798  0.5000  0.2698  1
  Li  Li2  1  0.0000  0.0000  0.0000  1
  Li  Li3  1  0.5000  0.5000  0.0000  1
  B  B4  2  0.0536  0.0000  0.2896  1
  B  B5  2  0.2059  0.5000  0.9574  1
  B  B6  2  0.2979  0.5000  0.5420  1
  B  B7  2  0.4678  0.0000  0.2003  1
  C  C8  2  0.0325  0.5000  0.7970  1
  C  C9  2  0.2191  0.0000  0.4534  1
  C  C10  2  0.2942  0.0000  0.0383  1
  C  C11  2  0.4481  0.5000  0.7195  1
]