data_[Cs3Tl6Bi3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [8.0434]
_cell_length_b [8.0434]
_cell_length_c [20.8248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsTl2BiCl6]
_chemical_formula_sum '[Cs3 Tl6 Bi3 Cl18]'
_cell_volume [1166.7919]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.8090  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0139  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5273  1.0
  Bi  Bi3  3  0.0000  0.0000  0.3237  1.0
  Cl  Cl4  9  0.0536  0.3647  0.9213  1.0
  Cl  Cl5  9  0.0787  0.6833  0.0746  1.0
]