data_[Li8Ac12Si12]
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 [Cmcm]
_cell_length_a [4.6094]
_cell_length_b [11.4306]
_cell_length_c [15.5125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li2(AcSi)3]
_chemical_formula_sum '[Li8 Ac12 Si12]'
_cell_volume [817.3346]
_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  0.0000  0.2055  0.5822  1
  Ac  Ac1  8  0.0000  0.0952  0.1101  1
  Ac  Ac2  4  0.0000  0.3790  0.2500  1
  Si  Si3  8  0.0000  0.4089  0.0428  1
  Si  Si4  4  0.0000  0.3167  0.7500  1
]