data_[Ba16Na4Li2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.2884]
_cell_length_b [6.6263]
_cell_length_c [8.7203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Na2Li]
_chemical_formula_sum '[Ba16 Na4 Li2]'
_cell_volume [1223.9527]
_cell_formula_units_Z [2]
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  4  0.0196  0.0000  0.7817  1.0
  Ba  Ba1  4  0.0911  0.5000  0.4387  1.0
  Ba  Ba2  4  0.1548  0.5000  0.9651  1.0
  Ba  Ba3  4  0.1987  0.0000  0.2958  1.0
  Na  Na4  4  0.1808  0.0000  0.7168  1.0
  Li  Li5  2  0.0000  0.5000  0.0000  1.0
]