data_[Cs4Li4Ac4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9480]
_cell_length_b [13.4922]
_cell_length_c [11.3474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLiAcBr5]
_chemical_formula_sum '[Cs4 Li4 Ac4 Br20]'
_cell_volume [1398.0951]
_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
[
  Cs  Cs0  4  0.0000  0.3483  0.2500  1
  Li  Li1  4  0.0000  0.3091  0.7500  1
  Ac  Ac2  4  0.0000  0.0000  0.0000  1
  Br  Br3  8  0.1033  0.2043  0.6133  1
  Br  Br4  8  0.1861  0.4290  0.9168  1
  Br  Br5  4  0.0000  0.0826  0.2500  1
]