data_[Rb3Tl6Bi3Br18]
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
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3029]
_cell_length_b [8.3029]
_cell_length_c [21.5171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbTl2BiBr6]
_chemical_formula_sum '[Rb3 Tl6 Bi3 Br18]'
_cell_volume [1284.6227]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8126  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0146  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5261  1.0
  Bi  Bi3  3  0.0000  0.0000  0.3244  1.0
  Br  Br4  9  0.0001  0.7280  0.4094  1.0
  Br  Br5  9  0.0572  0.3562  0.9186  1.0
]