data_[Cu4Pb12O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1454]
_cell_length_b [11.3005]
_cell_length_c [5.5410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cu(PbO2)3]
_chemical_formula_sum '[Cu4 Pb12 O24]'
_cell_volume [572.6512]
_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
[
  Cu  Cu0  4  0.0000  0.1885  0.4937  1.0
  Pb  Pb1  8  0.1892  0.1116  0.9710  1.0
  Pb  Pb2  4  0.0000  0.3937  0.9155  1.0
  O  O3  8  0.1543  0.4744  0.1910  1.0
  O  O4  8  0.1554  0.2737  0.6978  1.0
  O  O5  4  0.0000  0.0492  0.6980  1.0
  O  O6  4  0.0000  0.2199  0.1585  1.0
]