data_[Tl1V1Au1Cl6]
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
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9582]
_cell_length_b [7.2467]
_cell_length_c [7.2763]
_cell_angle_alpha [117.2637]
_cell_angle_beta [102.7940]
_cell_angle_gamma [103.5208]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlVAuCl6]
_chemical_formula_sum '[Tl1 V1 Au1 Cl6]'
_cell_volume [293.2953]
_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  0.1202  0.1160  0.0020  1.0
  V  V1  1  0.8038  0.6274  0.3348  1.0
  Au  Au2  1  0.2671  0.3082  0.7259  1.0
  Cl  Cl3  1  0.0411  0.0037  0.3742  1.0
  Cl  Cl4  1  0.0979  0.6764  0.5857  1.0
  Cl  Cl5  1  0.4806  0.6277  0.0714  1.0
  Cl  Cl6  1  0.6099  0.3071  0.2908  1.0
  Cl  Cl7  1  0.6982  0.8576  0.5829  1.0
  Cl  Cl8  1  0.8810  0.4758  0.0321  1.0
]