data_[Ba3In6Pb3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9911]
_cell_length_b [7.9911]
_cell_length_c [20.1472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [BaIn2PbCl6]
_chemical_formula_sum '[Ba3 In6 Pb3 Cl18]'
_cell_volume [1114.1774]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.4985  1.0
  In  In1  3  0.0000  0.0000  0.2122  1.0
  In  In2  3  0.0000  0.0000  0.7098  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0022  1.0
  Cl  Cl4  9  0.0232  0.6251  0.2685  1.0
  Cl  Cl5  9  0.0309  0.2893  0.0982  1.0
]