data_[Li8B4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.4229]
_cell_length_b [7.7117]
_cell_length_c [4.8772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2BO3]
_chemical_formula_sum '[Li8 B4 O12]'
_cell_volume [158.1693]
_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  0.0000  0.3419  0.5000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Li  Li2  2  0.0000  0.5000  0.0000  1
  B  B3  4  0.0000  0.1669  0.0000  1
  O  O4  8  0.2435  0.1854  0.7918  1
  O  O5  4  0.2010  0.0000  0.2100  1
]