data_[Tl2V2In4Cl12]
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 [P2_1/c]
_cell_length_a [6.9502]
_cell_length_b [8.2325]
_cell_length_c [12.1533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlV(InCl3)2]
_chemical_formula_sum '[Tl2 V2 In4 Cl12]'
_cell_volume [597.0062]
_cell_formula_units_Z [2]
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  0.5000  0.0000  0.0000  1.0
  V  V1  2  0.0000  0.0000  0.5000  1.0
  In  In2  4  0.3004  0.5673  0.7697  1.0
  Cl  Cl3  4  0.0967  0.5735  0.2145  1.0
  Cl  Cl4  4  0.2319  0.2380  0.5805  1.0
  Cl  Cl5  4  0.3175  0.6512  0.0247  1.0
]