data_[Li6V3Pb3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [R3]
_cell_length_a [6.6092]
_cell_length_b [6.6092]
_cell_length_c [18.2390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2VPbCl6]
_chemical_formula_sum '[Li6 V3 Pb3 Cl18]'
_cell_volume [689.9723]
_cell_formula_units_Z [3]
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
[
  Li  Li0  3  0.0000  0.0000  0.0089  1.0
  Li  Li1  3  0.0000  0.0000  0.5237  1.0
  V  V2  3  0.0000  0.0000  0.3251  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8128  1.0
  Cl  Cl4  9  0.0071  0.3395  0.9204  1.0
  Cl  Cl5  9  0.0653  0.7112  0.0766  1.0
]