data_[Cu2Pb6O8]
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 [Pmmn]
_cell_length_a [4.0220]
_cell_length_b [7.9264]
_cell_length_c [10.8309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CuPb3O4]
_chemical_formula_sum '[Cu2 Pb6 O8]'
_cell_volume [345.2876]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.1962  1.0
  Pb  Pb1  4  0.0000  0.2561  0.6735  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0944  1.0
  O  O3  4  0.0000  0.2604  0.2143  1.0
  O  O4  2  0.0000  0.0000  0.7827  1.0
  O  O5  2  0.0000  0.5000  0.7918  1.0
]