data_[Na6Tl3Bi3Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3005]
_cell_length_b [7.3005]
_cell_length_c [19.8066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2TlBiCl6]
_chemical_formula_sum '[Na6 Tl3 Bi3 Cl18]'
_cell_volume [914.2189]
_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  0.0052  1.0
  Na  Na1  3  0.0000  0.0000  0.5213  1.0
  Tl  Tl2  3  0.0000  0.0000  0.8069  1.0
  Bi  Bi3  3  0.0000  0.0000  0.3239  1.0
  Cl  Cl4  9  0.0031  0.3439  0.5883  1.0
  Cl  Cl5  9  0.0787  0.7172  0.0792  1.0
]