data_[Ba8Li4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4210]
_cell_length_b [6.4851]
_cell_length_c [8.6560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2LiSi2]
_chemical_formula_sum '[Ba8 Li4 Si8]'
_cell_volume [616.5992]
_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
[
  Ba  Ba0  8  0.1418  0.3301  0.6233  1.0
  Li  Li1  4  0.0000  0.0655  0.2500  1.0
  Si  Si2  8  0.1546  0.1748  0.9954  1.0
]