data_[Ca2Ti4Pb2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8184]
_cell_length_b [7.6646]
_cell_length_c [8.8437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CaTi2PbO6]
_chemical_formula_sum '[Ca2 Ti4 Pb2 O12]'
_cell_volume [258.8240]
_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  0.0000  0.0000  0.0536  1.0
  Ti  Ti1  4  0.5000  0.2469  0.7669  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5305  1.0
  O  O3  4  0.0000  0.2485  0.7141  1.0
  O  O4  4  0.5000  0.2142  0.9647  1.0
  O  O5  2  0.5000  0.0000  0.2347  1.0
  O  O6  2  0.5000  0.0000  0.6977  1.0
]