data_[Li12Ac12Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4896]
_cell_length_b [17.4559]
_cell_length_c [6.1923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li3Ac3Ag2]
_chemical_formula_sum '[Li12 Ac12 Ag8]'
_cell_volume [917.6555]
_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
[
  Li  Li0  8  0.1690  0.5326  0.0952  1
  Li  Li1  4  0.1809  0.2500  0.1104  1
  Ac  Ac2  8  0.0281  0.6107  0.6109  1
  Ac  Ac3  4  0.1693  0.7500  0.1183  1
  Ag  Ag4  8  0.1200  0.1101  0.8822  1
]