data_[Cs4Tl4V2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [C2/m]
_cell_length_a [8.5341]
_cell_length_b [13.6367]
_cell_length_c [7.4280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl2VCl6]
_chemical_formula_sum '[Cs4 Tl4 V2 Cl12]'
_cell_volume [823.9434]
_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
[
  Cs  Cs0  4  0.0000  0.3434  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1635  0.0000  1.0
  V  V2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.1856  0.1300  0.7016  1.0
  Cl  Cl4  4  0.1693  0.0000  0.2693  1.0
]