data_[Rb6Tl8Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6990]
_cell_length_b [13.7169]
_cell_length_c [9.6349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3(TlBr2)4]
_chemical_formula_sum '[Rb6 Tl8 Br16]'
_cell_volume [1288.2072]
_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  0.2500  0.2500  0.0000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.5000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl4  2  0.0000  0.0000  0.5000  1.0
  Br  Br5  4  0.0000  0.2244  0.0000  1.0
  Br  Br6  4  0.0000  0.2473  0.5000  1.0
  Br  Br7  4  0.2199  0.0000  0.9937  1.0
  Br  Br8  4  0.2228  0.0000  0.4505  1.0
]