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 [P1]
_cell_length_a [6.1669]
_cell_length_b [6.5783]
_cell_length_c [7.8223]
_cell_angle_alpha [76.7718]
_cell_angle_beta [73.6540]
_cell_angle_gamma [88.6500]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbTlS2]
_chemical_formula_sum '[Rb2 Tl2 S4]'
_cell_volume [296.1431]
_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  1  0.0903  0.3567  0.4843  1
  Rb  Rb1  1  0.5980  0.9319  0.2523  1
  Tl  Tl2  1  0.1290  0.4603  0.9598  1
  Tl  Tl3  1  0.6683  0.8074  0.7743  1
  S  S4  1  0.0373  0.8692  0.4223  1
  S  S5  1  0.1748  0.8472  0.6452  1
  S  S6  1  0.6340  0.4542  0.1544  1
  S  S7  1  0.6968  0.3507  0.9090  1
]