data_[Tl12V4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.1431]
_cell_length_b [15.9304]
_cell_length_c [7.7525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3VCl6]
_chemical_formula_sum '[Tl12 V4 Cl24]'
_cell_volume [1499.6732]
_cell_formula_units_Z [4]
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  8  0.2006  0.0918  0.4712  1.0
  Tl  Tl1  4  0.0000  0.4044  0.4508  1.0
  V  V2  4  0.0000  0.1924  0.0274  1.0
  Cl  Cl3  8  0.1492  0.2500  0.1465  1.0
  Cl  Cl4  8  0.1600  0.4925  0.7131  1.0
  Cl  Cl5  4  0.0000  0.0559  0.1032  1.0
  Cl  Cl6  4  0.0000  0.2074  0.7423  1.0
]