data_[Ba16Li8Si24]
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 [Fmmm]
_cell_length_a [8.8190]
_cell_length_b [9.8068]
_cell_length_c [15.0859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2LiSi3]
_chemical_formula_sum '[Ba16 Li8 Si24]'
_cell_volume [1304.7165]
_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
[
  Ba  Ba0  8  0.0000  0.2484  0.0000  1
  Ba  Ba1  8  0.2500  0.2500  0.2500  1
  Li  Li2  8  0.0000  0.0000  0.3336  1
  Si  Si3  16  0.2380  0.0000  0.0796  1
  Si  Si4  8  0.0000  0.0000  0.1577  1
]