data_[Tl3Ag6Bi3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9407]
_cell_length_b [7.9407]
_cell_length_c [21.7265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TlAg2BiI6]
_chemical_formula_sum '[Tl3 Ag6 Bi3 I18]'
_cell_volume [1186.4244]
_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
[
  Tl  Tl0  3  0.0000  0.0000  0.1895  1.0
  Ag  Ag1  3  0.0000  0.0000  0.0060  1.0
  Ag  Ag2  3  0.0000  0.0000  0.4845  1.0
  Bi  Bi3  3  0.0000  0.0000  0.6729  1.0
  I  I4  9  0.0002  0.3463  0.7459  1.0
  I  I5  9  0.0049  0.6032  0.2527  1.0
]