data_[Tl4V2Br8Cl4]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0093]
_cell_length_b [7.4358]
_cell_length_c [6.3447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2V(Br2Cl)2]
_chemical_formula_sum '[Tl4 V2 Br8 Cl4]'
_cell_volume [561.1598]
_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  0.1636  0.5000  0.7256  1
  V  V1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.0951  0.2412  0.3073  1
  Cl  Cl3  4  0.1463  0.0000  0.7666  1
]