data_[Zr1Ti1Pb2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [P4mm]
_cell_length_a [4.0276]
_cell_length_b [4.0276]
_cell_length_c [8.7616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ZrTi(PbO3)2]
_chemical_formula_sum '[Zr1 Ti1 Pb2 O6]'
_cell_volume [142.1247]
_cell_formula_units_Z [1]
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
[
  Zr  Zr0  1  0.5000  0.5000  0.7639  1.0
  Ti  Ti1  1  0.5000  0.5000  0.2681  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0063  1.0
  Pb  Pb3  1  0.0000  0.0000  0.4732  1.0
  O  O4  2  0.0000  0.5000  0.3005  1.0
  O  O5  2  0.0000  0.5000  0.8257  1.0
  O  O6  1  0.5000  0.5000  0.0669  1.0
  O  O7  1  0.5000  0.5000  0.5378  1.0
]