data_[Cs1Ac6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ac  1.1000  1.9500  1.2600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.7366]
_cell_length_b [11.7366]
_cell_length_c [4.3859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Cs(Ac3S4)2]
_chemical_formula_sum '[Cs1 Ac6 S8]'
_cell_volume [523.2062]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ac  Ac1  6  0.1419  0.4731  0.7540  1
  S  S2  6  0.0445  0.6742  0.7447  1
  S  S3  2  0.3333  0.6667  0.2543  1
]