data_[Ba4Al12Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6280]
_cell_length_b [4.5398]
_cell_length_c [8.2129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAl3Ag2]
_chemical_formula_sum '[Ba4 Al12 Ag8]'
_cell_volume [566.1622]
_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  0.1539  0.0000  0.0808  1
  Al  Al1  4  0.0155  0.0000  0.3491  1
  Al  Al2  4  0.0878  0.5000  0.6462  1
  Al  Al3  4  0.1859  0.5000  0.4433  1
  Ag  Ag4  4  0.0217  0.5000  0.1890  1
  Ag  Ag5  4  0.1733  0.0000  0.6272  1
]