data_[Rb2Tl2S4]
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 [P-1]
_cell_length_a [6.1341]
_cell_length_b [6.8793]
_cell_length_c [6.9359]
_cell_angle_alpha [98.8770]
_cell_angle_beta [97.2325]
_cell_angle_gamma [106.0371]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbTlS2]
_chemical_formula_sum '[Rb2 Tl2 S4]'
_cell_volume [273.5132]
_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  0.2825  0.1046  0.2987  1.0
  Tl  Tl1  2  0.1908  0.5080  0.8101  1.0
  S  S2  2  0.2968  0.1217  0.7961  1.0
  S  S3  2  0.4066  0.6495  0.2368  1.0
]