data_[Li8B8O32]
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 [Pbca]
_cell_length_a [7.9330]
_cell_length_b [9.4779]
_cell_length_c [8.0067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [LiBO4]
_chemical_formula_sum '[Li8 B8 O32]'
_cell_volume [602.0077]
_cell_formula_units_Z [8]
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  0.1277  0.2034  0.3908  1
  B  B1  8  0.1547  0.5689  0.6579  1
  O  O2  8  0.0464  0.6543  0.5579  1
  O  O3  8  0.0993  0.0681  0.2036  1
  O  O4  8  0.1831  0.0679  0.5755  1
  O  O5  8  0.1996  0.6553  0.8010  1
]