data_[Rb4Li4Tl4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  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 [13.2204]
_cell_length_b [5.0616]
_cell_length_c [8.9913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbLiTlS2]
_chemical_formula_sum '[Rb4 Li4 Tl4 S8]'
_cell_volume [592.2854]
_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  0.1563  0.5000  0.6735  1.0
  Li  Li1  4  0.1726  0.5000  0.0593  1.0
  Tl  Tl2  4  0.0564  0.0000  0.2109  1.0
  S  S3  4  0.1042  0.5000  0.2958  1.0
  S  S4  4  0.1413  0.0000  0.9425  1.0
]