data_[Cs6Rb16S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [15.1778]
_cell_length_b [15.1778]
_cell_length_c [10.2549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Cs3Rb8S]
_chemical_formula_sum '[Cs6 Rb16 S2]'
_cell_volume [2045.8796]
_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  6  0.1505  0.3009  0.2207  1
  Rb  Rb1  6  0.0759  0.5380  0.4972  1
  Rb  Rb2  6  0.2345  0.4690  0.7794  1
  Rb  Rb3  2  0.0000  0.0000  0.4700  1
  Rb  Rb4  2  0.3333  0.6667  0.2409  1
  S  S5  2  0.3333  0.6667  0.5704  1
]