data_[Tl3V2In1Cl9]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1091]
_cell_length_b [7.1091]
_cell_length_c [10.1175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tl3V2InCl9]
_chemical_formula_sum '[Tl3 V2 In1 Cl9]'
_cell_volume [442.8253]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.2623  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  V  V2  2  0.3333  0.6667  0.8506  1.0
  In  In3  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  6  0.1726  0.3453  0.7229  1.0
  Cl  Cl5  3  0.0000  0.5000  0.0000  1.0
]