data_[Na6Ni3Pb3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9222]
_cell_length_b [6.9222]
_cell_length_c [18.4306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2NiPbCl6]
_chemical_formula_sum '[Na6 Ni3 Pb3 Cl18]'
_cell_volume [764.8161]
_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
[
  Na  Na0  3  0.0000  0.0000  0.0168  1.0
  Na  Na1  3  0.0000  0.0000  0.5264  1.0
  Ni  Ni2  3  0.0000  0.0000  0.3245  1.0
  Pb  Pb3  3  0.0000  0.0000  0.8175  1.0
  Cl  Cl4  9  0.0109  0.7256  0.4059  1.0
  Cl  Cl5  9  0.0534  0.3572  0.9194  1.0
]