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 [5.4829]
_cell_length_b [5.9148]
_cell_length_c [8.7780]
_cell_angle_alpha [96.6128]
_cell_angle_beta [101.2161]
_cell_angle_gamma [92.1609]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbTlS2]
_chemical_formula_sum '[Rb2 Tl2 S4]'
_cell_volume [276.8493]
_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  0.2721  0.6442  0.5564  1.0
  Rb  Rb1  1  0.8789  0.1620  0.7898  1.0
  Tl  Tl2  1  0.4526  0.1758  0.2372  1.0
  Tl  Tl3  1  0.8960  0.7008  0.1202  1.0
  S  S4  1  0.4089  0.5118  0.9192  1.0
  S  S5  1  0.4333  0.8709  0.9333  1.0
  S  S6  1  0.7401  0.8436  0.4221  1.0
  S  S7  1  0.9956  0.1194  0.4201  1.0
]