data_[Rb4Tl6In2Br12]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.1113]
_cell_length_b [4.8490]
_cell_length_c [9.6885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tl3InBr6]
_chemical_formula_sum '[Rb4 Tl6 In2 Br12]'
_cell_volume [965.4762]
_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  0.1653  0.0000  0.3292  1.0
  Tl  Tl1  4  0.1672  0.0000  0.8327  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Br  Br4  4  0.0026  0.0000  0.7535  1.0
  Br  Br5  4  0.1644  0.5000  0.0749  1.0
  Br  Br6  4  0.1648  0.5000  0.5852  1.0
]