data_[Cs3K6Ac3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2212]
_cell_length_b [4.2212]
_cell_length_c [50.5634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CsK2Ac]
_chemical_formula_sum '[Cs3 K6 Ac3]'
_cell_volume [780.2543]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  K  K1  6  0.0000  0.0000  0.0792  1
  Ac  Ac2  3  0.0000  0.0000  0.0000  1
]