data_[Rb4Ti4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.7384]
_cell_length_b [7.2987]
_cell_length_c [6.0102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbTiS2]
_chemical_formula_sum '[Rb4 Ti4 S8]'
_cell_volume [553.4771]
_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  0.1807  0.0001  0.7819  1.0
  Ti  Ti1  2  0.0000  0.3972  0.0000  1.0
  Ti  Ti2  2  0.0000  0.4018  0.5000  1.0
  S  S3  4  0.0960  0.2183  0.2805  1.0
  S  S4  4  0.1063  0.5613  0.7875  1.0
]