data_ZrTi(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   59.22
_cell_angle_beta   59.22
_cell_angle_gamma   59.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi(PbO3)2
_chemical_formula_sum   'Zr1 Ti1 Pb2 O6'
_cell_volume   140.21
_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  0.0  0.0  0.27  1.0
  Ti  Ti1  1  0.0  0.0  0.04  1.0
  Pb  Pb2  1  0.0  0.0  0.16  1.0
  Pb  Pb3  1  0.0  0.0  0.35  1.0
  O  O4  1  0.44  0.83  0.12  1.0
  O  O5  1  0.64  0.21  0.45  1.0
  O  O6  1  0.0  0.33  0.12  1.0
  O  O7  1  0.0  0.57  0.45  1.0
  O  O8  1  0.56  0.83  0.12  1.0
  O  O9  1  0.36  0.21  0.45  1.0

data_ZrTi(PbO3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.87
_cell_angle_alpha   60.39
_cell_angle_beta   60.39
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi(PbO3)2
_chemical_formula_sum   'Zr1 Ti1 Pb2 O6'
_cell_volume   140.21
_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  0.0  0.73  0.27  1.0
  Ti  Ti1  1  0.0  0.96  0.04  1.0
  Pb  Pb2  1  0.0  0.65  0.35  1.0
  Pb  Pb3  1  0.0  0.84  0.16  1.0
  O  O4  1  0.17  0.88  0.4  1.0
  O  O5  1  0.17  0.88  0.51  1.0
  O  O6  1  0.43  0.55  0.02  1.0
  O  O7  1  0.67  0.88  0.45  1.0
  O  O8  1  0.79  0.55  0.02  1.0
  O  O9  1  0.79  0.55  0.3  1.0

Zr Ti Pb Pb O O O O O O