data_[Ca4Pb6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [6.8081]
_cell_length_b [6.8081]
_cell_length_c [10.4022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Ca2Pb3O8]
_chemical_formula_sum '[Ca4 Pb6 O16]'
_cell_volume [417.5536]
_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
[
  Ca  Ca0  2  0.3333  0.6667  0.5290  1
  Ca  Ca1  2  0.3333  0.6667  0.8903  1
  Pb  Pb2  6  0.1652  0.3304  0.2446  1
  O  O3  6  0.0476  0.5238  0.3649  1
  O  O4  6  0.1708  0.3415  0.6555  1
  O  O5  2  0.0000  0.0000  0.3540  1
  O  O6  2  0.3333  0.6667  0.1254  1
]