data_[Li4Ac4Ag12]
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 [P6_3/mmc]
_cell_length_a [6.8435]
_cell_length_b [6.8435]
_cell_length_c [11.4990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [LiAcAg3]
_chemical_formula_sum '[Li4 Ac4 Ag12]'
_cell_volume [466.3894]
_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  4  0.3333  0.6667  0.6385  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Ac  Ac2  2  0.3333  0.6667  0.2500  1
  Ag  Ag3  6  0.0000  0.5000  0.0000  1
  Ag  Ag4  6  0.1407  0.2815  0.7500  1
]