data_[Li4Ac12Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.4849]
_cell_length_b [4.5749]
_cell_length_c [12.5435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiAc3Si2]
_chemical_formula_sum '[Li4 Ac12 Si8]'
_cell_volume [716.4462]
_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  0.1290  0.2500  0.8718  1
  Ac  Ac1  4  0.0535  0.2500  0.6249  1
  Ac  Ac2  4  0.1282  0.7500  0.0643  1
  Ac  Ac3  4  0.2031  0.2500  0.3015  1
  Si  Si4  4  0.0268  0.7500  0.8243  1
  Si  Si5  4  0.1886  0.7500  0.4922  1
]