data_[Li3In6Pb3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [7.1845]
_cell_length_b [7.1845]
_cell_length_c [19.8296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiIn2PbCl6]
_chemical_formula_sum '[Li3 In6 Pb3 Cl18]'
_cell_volume [886.4199]
_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  0.5075  1.0
  In  In1  3  0.0000  0.0000  0.1962  1.0
  In  In2  3  0.0000  0.0000  0.7151  1.0
  Pb  Pb3  3  0.0000  0.0000  0.9998  1.0
  Cl  Cl4  9  0.0036  0.6991  0.5946  1.0
  Cl  Cl5  9  0.0065  0.4116  0.7732  1.0
]