data_[Rb4Tl2As4S12]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7285]
_cell_length_b [7.2510]
_cell_length_c [8.4383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tl(AsS3)2]
_chemical_formula_sum '[Rb4 Tl2 As4 S12]'
_cell_volume [683.2101]
_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  0.2099  0.5000  0.2163  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  As  As2  4  0.0296  0.0000  0.1773  1.0
  S  S3  8  0.0582  0.2504  0.8041  1.0
  S  S4  4  0.2214  0.0000  0.3309  1.0
]