data_[Tl6V3In3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.3731]
_cell_length_b [8.3731]
_cell_length_c [21.0415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tl2VInI6]
_chemical_formula_sum '[Tl6 V3 In3 I18]'
_cell_volume [1277.5662]
_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  0.0185  1.0
  Tl  Tl1  3  0.0000  0.0000  0.5332  1.0
  V  V2  3  0.0000  0.0000  0.3257  1.0
  In  In3  3  0.0000  0.0000  0.8184  1.0
  I  I4  9  0.0391  0.7511  0.4047  1.0
  I  I5  9  0.0883  0.3701  0.9172  1.0
]