data_[Tl2V2Pd2Br12]
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
  Pd  2.2000  1.4000  0.8462
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.4203]
_cell_length_b [11.2305]
_cell_length_c [7.2333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlVPdBr6]
_chemical_formula_sum '[Tl2 V2 Pd2 Br12]'
_cell_volume [599.1934]
_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  2  0.0000  0.9802  0.0000  1.0
  V  V1  2  0.0000  0.3189  0.5000  1.0
  Pd  Pd2  2  0.0000  0.6678  0.5000  1.0
  Br  Br3  4  0.1273  0.5030  0.7018  1.0
  Br  Br4  4  0.1466  0.1919  0.7443  1.0
  Br  Br5  4  0.2002  0.8211  0.6675  1.0
]