data_[K6In4Pb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3643]
_cell_length_b [12.3668]
_cell_length_c [14.3793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K3In2Pb9]
_chemical_formula_sum '[K6 In4 Pb18]'
_cell_volume [953.9181]
_cell_formula_units_Z [2]
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
[
  K  K0  4  0.0000  0.0000  0.2858  1
  K  K1  2  0.0000  0.0000  0.0000  1
  In  In2  4  0.0000  0.1580  0.5000  1
  Pb  Pb3  8  0.0000  0.2832  0.1494  1
  Pb  Pb4  8  0.0000  0.3633  0.3687  1
  Pb  Pb5  2  0.0000  0.5000  0.0000  1
]