data_[Cs4Li4Ac2Br12]
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/m]
_cell_length_a [13.4119]
_cell_length_b [7.7583]
_cell_length_c [9.4852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Li2AcBr6]
_chemical_formula_sum '[Cs4 Li4 Ac2 Br12]'
_cell_volume [883.0238]
_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
[
  Cs  Cs0  4  0.2021  0.5000  0.1779  1
  Li  Li1  4  0.0477  0.0000  0.3502  1
  Ac  Ac2  2  0.0000  0.5000  0.5000  1
  Br  Br3  8  0.0475  0.2652  0.7931  1
  Br  Br4  4  0.2480  0.5000  0.5981  1
]