data_[Rb2Tl2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2544]
_cell_length_b [8.3498]
_cell_length_c [7.3876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4931]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbTlS6]
_chemical_formula_sum '[Rb2 Tl2 S12]'
_cell_volume [570.3114]
_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  2  0.0000  0.5000  0.0000  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  S  S2  8  0.2247  0.1967  0.7734  1
  S  S3  4  0.2111  0.0000  0.6156  1
]