data_[Rb8Tl6Sn2Br16]
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 [16.8778]
_cell_length_b [9.5820]
_cell_length_c [9.5935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb4Tl3SnBr8]
_chemical_formula_sum '[Rb8 Tl6 Sn2 Br16]'
_cell_volume [1320.5672]
_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  0.5000  1.0
  Rb  Rb1  2  0.0000  0.0000  0.0000  1.0
  Rb  Rb2  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl3  4  0.2500  0.2500  0.0000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn5  2  0.0000  0.0000  0.5000  1.0
  Br  Br6  8  0.0057  0.2333  0.7338  1.0
  Br  Br7  4  0.2276  0.5000  0.2209  1.0
  Br  Br8  4  0.2472  0.5000  0.7514  1.0
]