data_[Tl4V2Cu2Cl12]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.5846]
_cell_length_b [8.7781]
_cell_length_c [7.7168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2VCuCl6]
_chemical_formula_sum '[Tl4 V2 Cu2 Cl12]'
_cell_volume [513.7654]
_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  0.0000  0.2447  0.8075  1
  V  V1  2  0.0000  0.0000  0.2652  1
  Cu  Cu2  2  0.0000  0.5000  0.4375  1
  Cl  Cl3  4  0.0000  0.2715  0.2499  1
  Cl  Cl4  4  0.2125  0.0000  0.5004  1
  Cl  Cl5  4  0.2256  0.0000  0.0481  1
]