data_[Cs6K18S3]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.4318]
_cell_length_b [9.4318]
_cell_length_c [25.0111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2K6S]
_chemical_formula_sum '[Cs6 K18 S3]'
_cell_volume [1926.8825]
_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  0.5806  1
  Cs  Cs1  3  0.0000  0.0000  0.7761  1
  K  K2  9  0.1787  0.3575  0.0742  1
  K  K3  9  0.1868  0.3735  0.9181  1
  S  S4  3  0.0000  0.0000  0.3320  1
]