data_[Ba6Li3Al9Ag36]
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
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.8578]
_cell_length_b [8.8578]
_cell_length_c [20.2527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Li(AlAg4)3]
_chemical_formula_sum '[Ba6 Li3 Al9 Ag36]'
_cell_volume [1376.1606]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3799  1
  Li  Li1  3  0.0000  0.0000  0.0000  1
  Al  Al2  9  0.0000  0.5000  0.5000  1
  Ag  Ag3  18  0.0209  0.5104  0.6252  1
  Ag  Ag4  18  0.0223  0.5112  0.8611  1
]