data_[Rb8Ti4Sn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7658]
_cell_length_b [19.5028]
_cell_length_c [14.2141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2TiSnS5]
_chemical_formula_sum '[Rb8 Ti4 Sn4 S20]'
_cell_volume [1043.9322]
_cell_formula_units_Z [4]
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  0.1181  0.6771  1.0
  Rb  Rb1  4  0.0000  0.1356  0.3044  1.0
  Ti  Ti2  4  0.0000  0.2220  0.0283  1.0
  Sn  Sn3  4  0.0000  0.4368  0.4363  1.0
  S  S4  4  0.0000  0.0487  0.0468  1.0
  S  S5  4  0.0000  0.2888  0.6342  1.0
  S  S6  4  0.0000  0.3125  0.4076  1.0
  S  S7  4  0.0000  0.3303  0.9953  1.0
  S  S8  4  0.0000  0.4951  0.2940  1.0
]