data_[K16Sb24Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4274]
_cell_length_b [23.1082]
_cell_length_c [18.1399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K4Sb6Pb5]
_chemical_formula_sum '[K16 Sb24 Pb20]'
_cell_volume [2275.0572]
_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  0.0057  0.4941  1
  K  K1  4  0.0000  0.0375  0.7713  1
  K  K2  4  0.0000  0.1536  0.3105  1
  K  K3  4  0.0000  0.1731  0.9486  1
  Sb  Sb4  4  0.0000  0.1106  0.1283  1
  Sb  Sb5  4  0.0000  0.2232  0.4851  1
  Sb  Sb6  4  0.0000  0.2364  0.7645  1
  Sb  Sb7  4  0.0000  0.4168  0.1310  1
  Sb  Sb8  4  0.0000  0.4244  0.3974  1
  Sb  Sb9  4  0.0000  0.4565  0.8518  1
  Pb  Pb10  4  0.0000  0.1537  0.6268  1
  Pb  Pb11  4  0.0000  0.3114  0.6214  1
  Pb  Pb12  4  0.0000  0.3354  0.2713  1
  Pb  Pb13  4  0.0000  0.3525  0.9752  1
  Pb  Pb14  4  0.0000  0.4508  0.6782  1
]