data_[Zr1Ti2Pb3O9]
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 [Pmm2]
_cell_length_a [3.9582]
_cell_length_b [11.7807]
_cell_length_c [4.6558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [ZrTi2(PbO3)3]
_chemical_formula_sum '[Zr1 Ti2 Pb3 O9]'
_cell_volume [217.1042]
_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  0.5263  1.0
  Ti  Ti1  2  0.0000  0.3378  0.5255  1.0
  Pb  Pb2  2  0.5000  0.1743  0.9680  1.0
  Pb  Pb3  1  0.5000  0.5000  0.9659  1.0
  O  O4  2  0.0000  0.1766  0.6338  1.0
  O  O5  2  0.0000  0.3368  0.1497  1.0
  O  O6  2  0.5000  0.3376  0.6275  1.0
  O  O7  1  0.0000  0.0000  0.1068  1.0
  O  O8  1  0.0000  0.5000  0.6377  1.0
  O  O9  1  0.5000  0.0000  0.6500  1.0
]