data_[Pb12O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ccc2]
_cell_length_a [16.9924]
_cell_length_b [29.4317]
_cell_length_c [14.8838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [37]
_chemical_formula_structural [PbO]
_chemical_formula_sum '[Pb12 O12]'
_cell_volume [7443.6113]
_cell_formula_units_Z [12]
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
[
  Pb  Pb0  8  0.0814  0.4529  0.5043  1
  Pb  Pb1  4  0.0000  0.5000  0.2757  1
  O  O2  8  0.0694  0.4591  0.3649  1
  O  O3  4  0.0000  0.5000  0.0559  1
]