data_[Rb4Ti4Tl4S12]
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
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3701]
_cell_length_b [14.8832]
_cell_length_c [6.6009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbTiTlS3]
_chemical_formula_sum '[Rb4 Ti4 Tl4 S12]'
_cell_volume [707.7852]
_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  0.2396  0.2500  1
  Ti  Ti1  4  0.0000  0.0463  0.7500  1
  Tl  Tl2  4  0.0000  0.4108  0.7500  1
  S  S3  8  0.2114  0.0346  0.5025  1
  S  S4  4  0.0000  0.1969  0.7500  1
]