data_[Li4B4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2312]
_cell_length_b [5.9995]
_cell_length_c [12.1901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiBCl3]
_chemical_formula_sum '[Li4 B4 Cl12]'
_cell_volume [410.9107]
_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  0.1920  0.5024  0.1672  1
  B  B1  4  0.3785  0.5527  0.9389  1
  Cl  Cl2  4  0.1752  0.1739  0.3380  1
  Cl  Cl3  4  0.1841  0.7292  0.9882  1
  Cl  Cl4  4  0.4798  0.7321  0.8407  1
]