data_[V6In4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [15.5516]
_cell_length_b [7.4897]
_cell_length_c [6.4591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2021]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3(InCl4)2]
_chemical_formula_sum '[V6 In4 Cl16]'
_cell_volume [718.6786]
_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
[
  V  V0  4  0.0000  0.2519  0.0000  1
  V  V1  2  0.0000  0.0000  0.5000  1
  In  In2  4  0.2171  0.5000  0.6581  1
  Cl  Cl3  8  0.0910  0.2296  0.3861  1
  Cl  Cl4  4  0.0888  0.0000  0.8949  1
  Cl  Cl5  4  0.0963  0.5000  0.9434  1
]