data_[Cs4Tl4V2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9355]
_cell_length_b [14.1627]
_cell_length_c [7.7159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl2VBr6]
_chemical_formula_sum '[Cs4 Tl4 V2 Br12]'
_cell_volume [924.6482]
_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  0.3428  0.5000  1.0
  Tl  Tl1  4  0.0000  0.1659  0.0000  1.0
  V  V2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.1916  0.1318  0.7102  1.0
  Br  Br4  4  0.1706  0.0000  0.2695  1.0
]