data_[Ca10Pb2O12]
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 [C2/m]
_cell_length_a [6.0287]
_cell_length_b [10.4390]
_cell_length_c [6.0181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5PbO6]
_chemical_formula_sum '[Ca10 Pb2 O12]'
_cell_volume [356.8837]
_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  4  0.0000  0.1665  0.5000  1.0
  Ca  Ca1  4  0.0000  0.3329  0.0000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2386  0.3245  0.7431  1.0
  O  O5  4  0.2368  0.5000  0.2614  1.0
]