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 [P1]
_cell_length_a [4.1938]
_cell_length_b [5.7754]
_cell_length_c [5.8545]
_cell_angle_alpha [88.5214]
_cell_angle_beta [88.9063]
_cell_angle_gamma [89.2980]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZrTi(PbO3)2]
_chemical_formula_sum '[Zr1 Ti1 Pb2 O6]'
_cell_volume [141.7171]
_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  0.7719  0.6430  0.9186  1.0
  Ti  Ti1  1  0.7449  0.1377  0.4112  1.0
  Pb  Pb2  1  0.2241  0.6222  0.3849  1.0
  Pb  Pb3  1  0.2294  0.1357  0.8620  1.0
  O  O4  1  0.2833  0.6589  0.9602  1.0
  O  O5  1  0.3097  0.1566  0.4455  1.0
  O  O6  1  0.7996  0.9056  0.2030  1.0
  O  O7  1  0.8062  0.4044  0.2095  1.0
  O  O8  1  0.8099  0.9212  0.6867  1.0
  O  O9  1  0.8111  0.3918  0.6854  1.0
]