data_[Na6Tl3Bi3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.6693]
_cell_length_b [7.6693]
_cell_length_c [20.9977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2TlBiBr6]
_chemical_formula_sum '[Na6 Tl3 Bi3 Br18]'
_cell_volume [1069.5915]
_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
[
  Na  Na0  3  0.0000  0.0000  0.0037  1.0
  Na  Na1  3  0.0000  0.0000  0.5193  1.0
  Tl  Tl2  3  0.0000  0.0000  0.8105  1.0
  Bi  Bi3  3  0.0000  0.0000  0.3259  1.0
  Br  Br4  9  0.0124  0.3338  0.9207  1.0
  Br  Br5  9  0.0673  0.7096  0.0799  1.0
]