data_[K8Pd4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7693]
_cell_length_b [5.0805]
_cell_length_c [12.4159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2PdPb2]
_chemical_formula_sum '[K8 Pd4 Pb8]'
_cell_volume [694.0774]
_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  0.0913  0.0000  0.8925  1.0
  K  K1  4  0.1472  0.5000  0.6688  1.0
  Pd  Pd2  4  0.1444  0.5000  0.3529  1.0
  Pb  Pb3  4  0.1231  0.0000  0.4339  1.0
  Pb  Pb4  4  0.1254  0.5000  0.1225  1.0
]