data_[Rb10Tl4S10]
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 [15.0275]
_cell_length_b [4.5530]
_cell_length_c [12.4412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb5Tl2S5]
_chemical_formula_sum '[Rb10 Tl4 S10]'
_cell_volume [818.6301]
_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  4  0.1591  0.5000  0.0658  1.0
  Rb  Rb1  4  0.2368  0.0000  0.6355  1.0
  Rb  Rb2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  4  0.0343  0.0000  0.7962  1.0
  S  S4  4  0.1071  0.0000  0.3756  1.0
  S  S5  4  0.1442  0.5000  0.7932  1.0
  S  S6  2  0.0000  0.0000  0.0000  1.0
]