data_[Tl2V1Pb1Cl6]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2807]
_cell_length_b [7.3695]
_cell_length_c [7.4294]
_cell_angle_alpha [62.0250]
_cell_angle_beta [60.7673]
_cell_angle_gamma [61.9445]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2VPbCl6]
_chemical_formula_sum '[Tl2 V1 Pb1 Cl6]'
_cell_volume [291.7712]
_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  2  0.2596  0.7272  0.7349  1.0
  V  V1  1  0.0000  0.5000  0.5000  1.0
  Pb  Pb2  1  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1432  0.8148  0.3041  1.0
  Cl  Cl4  2  0.2688  0.3432  0.1971  1.0
  Cl  Cl5  2  0.2849  0.2990  0.6794  1.0
]