data_[K8Pt12Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7890]
_cell_length_b [28.4665]
_cell_length_c [7.7044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2Pt3Pb5]
_chemical_formula_sum '[K8 Pt12 Pb20]'
_cell_volume [1050.2934]
_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  0.1748  0.2709  1
  K  K1  4  0.0000  0.4783  0.2453  1
  Pt  Pt2  4  0.0000  0.0524  0.0401  1
  Pt  Pt3  4  0.0000  0.2236  0.7787  1
  Pt  Pt4  4  0.0000  0.3936  0.9810  1
  Pb  Pb5  4  0.0000  0.0503  0.4145  1
  Pb  Pb6  4  0.0000  0.1235  0.7464  1
  Pb  Pb7  4  0.0000  0.2903  0.4842  1
  Pb  Pb8  4  0.0000  0.2960  0.0629  1
  Pb  Pb9  4  0.0000  0.4013  0.6112  1
]