data_[Tl4V2Sn2Br12]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5259]
_cell_length_b [7.9230]
_cell_length_c [13.2864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2VSnBr6]
_chemical_formula_sum '[Tl4 V2 Sn2 Br12]'
_cell_volume [652.6346]
_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  4  0.2737  0.0788  0.2480  1.0
  V  V1  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1406  0.0148  0.7339  1.0
  Br  Br4  4  0.2217  0.7145  0.5450  1.0
  Br  Br5  4  0.3355  0.1809  0.5440  1.0
]