data_[Ba4Na12Li8]
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 [Imma]
_cell_length_a [10.6582]
_cell_length_b [11.9267]
_cell_length_c [6.9147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaNa3Li2]
_chemical_formula_sum '[Ba4 Na12 Li8]'
_cell_volume [878.9841]
_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  4  0.0000  0.2500  0.7421  1
  Na  Na1  8  0.2433  0.0000  0.5000  1
  Na  Na2  4  0.2500  0.2500  0.2500  1
  Li  Li3  8  0.0000  0.0839  0.2324  1
]