data_[Rb4Si2S2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [7.7910]
_cell_length_b [7.7910]
_cell_length_c [9.0939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Rb2SiSCl6]
_chemical_formula_sum '[Rb4 Si2 S2 Cl12]'
_cell_volume [551.9900]
_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
[
  Rb  Rb0  4  0.0000  0.5000  0.2500  1
  Si  Si1  2  0.0000  0.0000  0.5000  1
  S  S2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.2037  0.2037  0.5000  1
  Cl  Cl4  4  0.0000  0.0000  0.2521  1
]