data_[Tl1V1Cu2Cl8]
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 [P-1]
_cell_length_a [6.0681]
_cell_length_b [6.8981]
_cell_length_c [8.3481]
_cell_angle_alpha [69.8087]
_cell_angle_beta [83.0798]
_cell_angle_gamma [86.0033]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlV(CuCl4)2]
_chemical_formula_sum '[Tl1 V1 Cu2 Cl8]'
_cell_volume [325.4264]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.4752  0.0269  0.3147  1.0
  Cl  Cl3  2  0.1116  0.9846  0.2624  1.0
  Cl  Cl4  2  0.1505  0.3117  0.8752  1.0
  Cl  Cl5  2  0.3303  0.8371  0.9413  1.0
  Cl  Cl6  2  0.4771  0.2649  0.4556  1.0
]