data_[K6Pb26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.8749]
_cell_length_b [10.4978]
_cell_length_c [10.5499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [K3Pb13]
_chemical_formula_sum '[K6 Pb26]'
_cell_volume [1093.6582]
_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  0.2513  0.0000  0.0079  1.0
  K  K1  2  0.0000  0.0000  0.7372  1.0
  Pb  Pb2  8  0.2547  0.2395  0.2642  1.0
  Pb  Pb3  4  0.0000  0.2379  0.4784  1.0
  Pb  Pb4  4  0.2521  0.0000  0.4953  1.0
  Pb  Pb5  4  0.5000  0.2340  0.4907  1.0
  Pb  Pb6  2  0.0000  0.0000  0.2648  1.0
  Pb  Pb7  2  0.5000  0.0000  0.2606  1.0
  Pb  Pb8  2  0.5000  0.0000  0.7362  1.0
]