data_[K4Pb4Cl12]
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 [Cmcm]
_cell_length_a [4.2646]
_cell_length_b [14.0717]
_cell_length_c [10.6187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KPbCl3]
_chemical_formula_sum '[K4 Pb4 Cl12]'
_cell_volume [637.2305]
_cell_formula_units_Z [4]
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  0.2523  0.7500  1.0
  Pb  Pb1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0000  0.3633  0.0614  1.0
  Cl  Cl3  4  0.0000  0.0828  0.2500  1.0
]