data_[K12Sn20Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.8858]
_cell_length_b [16.2134]
_cell_length_c [7.5837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K3Sn5Pb2]
_chemical_formula_sum '[K12 Sn20 Pb8]'
_cell_volume [1461.4520]
_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  8  0.2293  0.3593  0.5000  1
  K  K1  4  0.0000  0.0000  0.2500  1
  Sn  Sn2  8  0.0000  0.2394  0.2500  1
  Sn  Sn3  8  0.0988  0.3666  0.0000  1
  Sn  Sn4  4  0.0000  0.5000  0.2500  1
  Pb  Pb5  8  0.1473  0.1309  0.5000  1
]