data_[Ba6Li4Ag8]
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 [12.1254]
_cell_length_b [4.9523]
_cell_length_c [9.5725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(LiAg2)2]
_chemical_formula_sum '[Ba6 Li4 Ag8]'
_cell_volume [546.5208]
_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  0.1335  0.5000  0.6937  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  4  0.1781  0.5000  0.3439  1.0
  Ag  Ag3  4  0.0935  0.0000  0.4184  1.0
  Ag  Ag4  4  0.2235  0.5000  0.0677  1.0
]