data_[Rb4Tl4Sn2Br12]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6478]
_cell_length_b [13.9882]
_cell_length_c [8.0521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tl2SnBr6]
_chemical_formula_sum '[Rb4 Tl4 Sn2 Br12]'
_cell_volume [914.3183]
_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  0.0000  0.3409  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1777  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.2230  0.1530  0.7323  1.0
  Br  Br4  4  0.2018  0.0000  0.2589  1.0
]