data_[Zr2Ti1Pb3O9]
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 [P3m1]
_cell_length_a [5.8528]
_cell_length_b [5.8528]
_cell_length_c [7.2911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Zr2Ti(PbO3)3]
_chemical_formula_sum '[Zr2 Ti1 Pb3 O9]'
_cell_volume [216.2999]
_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  0.0000  0.0000  0.9759  1.0
  Zr  Zr1  1  0.6667  0.3333  0.3203  1.0
  Ti  Ti2  1  0.3333  0.6667  0.6449  1.0
  Pb  Pb3  1  0.0000  0.0000  0.4423  1.0
  Pb  Pb4  1  0.3333  0.6667  0.0934  1.0
  Pb  Pb5  1  0.6667  0.3333  0.7756  1.0
  O  O6  3  0.0008  0.5004  0.5230  1.0
  O  O7  3  0.1772  0.3544  0.8394  1.0
  O  O8  3  0.3186  0.1593  0.1816  1.0
]