data_[Li2Ac2Ga22]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7589]
_cell_length_b [13.1776]
_cell_length_c [7.1885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiAcGa11]
_chemical_formula_sum '[Li2 Ac2 Ga22]'
_cell_volume [509.5695]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  8  0.1049  0.3915  0.2199  1
  Ga  Ga3  8  0.2012  0.1760  0.3656  1
  Ga  Ga4  4  0.2500  0.2500  0.0000  1
  Ga  Ga5  2  0.0000  0.0000  0.5000  1
]