data_[Rb4Tl4Sb4S12]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5621]
_cell_length_b [14.4731]
_cell_length_c [7.2513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbTlSbS3]
_chemical_formula_sum '[Rb4 Tl4 Sb4 S12]'
_cell_volume [789.0660]
_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  0.2604  0.7500  1.0
  Tl  Tl1  4  0.0000  0.4110  0.2500  1.0
  Sb  Sb2  4  0.0000  0.0454  0.2500  1.0
  S  S3  8  0.2404  0.0181  0.0077  1.0
  S  S4  4  0.0000  0.2149  0.2500  1.0
]