data_[Ba4Li12Ag8]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8229]
_cell_length_b [4.4965]
_cell_length_c [8.5998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLi3Ag2]
_chemical_formula_sum '[Ba4 Li12 Ag8]'
_cell_volume [589.7068]
_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  0.1478  0.0000  0.0602  1
  Li  Li1  4  0.0433  0.0000  0.3796  1
  Li  Li2  4  0.0853  0.5000  0.6529  1
  Li  Li3  4  0.1872  0.5000  0.4618  1
  Ag  Ag4  4  0.0225  0.5000  0.1811  1
  Ag  Ag5  4  0.1865  0.0000  0.6758  1
]