data_[Ca8Pb8O20]
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 [Ima2]
_cell_length_a [16.4734]
_cell_length_b [5.9192]
_cell_length_c [6.0234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ca2Pb2O5]
_chemical_formula_sum '[Ca8 Pb8 O20]'
_cell_volume [587.3387]
_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
[
  Ca  Ca0  8  0.1195  0.5049  0.4724  1.0
  Pb  Pb1  4  0.0000  0.0000  0.5141  1.0
  Pb  Pb2  4  0.2500  0.5054  0.9420  1.0
  O  O3  8  0.0504  0.7231  0.7570  1.0
  O  O4  8  0.1191  0.1364  0.6014  1.0
  O  O5  4  0.2500  0.6250  0.5465  1.0
]