data_[K3Pb2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.6957]
_cell_length_b [8.9747]
_cell_length_c [9.0095]
_cell_angle_alpha [92.4308]
_cell_angle_beta [117.8461]
_cell_angle_gamma [118.2586]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3(PbCl4)2]
_chemical_formula_sum '[K3 Pb2 Cl8]'
_cell_volume [515.2919]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  K  K1  1  0.0000  0.5000  0.5000  1.0
  K  K2  1  0.5000  0.5000  0.5000  1.0
  Pb  Pb3  1  0.0000  0.5000  0.0000  1.0
  Pb  Pb4  1  0.5000  0.5000  0.0000  1.0
  Cl  Cl5  2  0.0230  0.2932  0.2317  1.0
  Cl  Cl6  2  0.0582  0.2891  0.7905  1.0
  Cl  Cl7  2  0.4658  0.7026  0.2065  1.0
  Cl  Cl8  2  0.4981  0.7089  0.7884  1.0
]