data_[K6Pb2Cl12]
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 [P2_1/c]
_cell_length_a [7.5757]
_cell_length_b [8.0681]
_cell_length_c [13.1311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3PbCl6]
_chemical_formula_sum '[K6 Pb2 Cl12]'
_cell_volume [665.1263]
_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  0.2861  0.0748  0.7578  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.0972  0.0622  0.2317  1.0
  Cl  Cl4  4  0.2508  0.7193  0.0797  1.0
  Cl  Cl5  4  0.3498  0.1808  0.0584  1.0
]