data_Zr2Ti3(PbO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   19.88
_cell_length_c   4.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ti3(PbO3)5
_chemical_formula_sum   'Zr2 Ti3 Pb5 O15'
_cell_volume   358.64
_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  0.03  0.34  1.0
  Zr  Zr1  1  0.0  0.85  0.34  1.0
  Ti  Ti2  1  0.0  0.03  0.3  1.0
  Ti  Ti3  1  0.0  0.0  0.31  1.0
  Ti  Ti4  1  0.0  0.84  0.3  1.0
  Pb  Pb5  1  0.01  0.94  0.31  1.0
  Pb  Pb6  1  0.01  0.1  0.31  1.0
  Pb  Pb7  1  0.01  0.96  0.29  1.0
  Pb  Pb8  1  0.01  0.92  0.29  1.0
  Pb  Pb9  1  0.01  0.78  0.31  1.0
  O  O10  1  0.0  0.02  0.37  1.0
  O  O11  1  0.0  0.02  0.55  1.0
  O  O12  1  0.0  0.0  0.56  1.0
  O  O13  1  0.0  0.86  0.55  1.0
  O  O14  1  0.0  0.85  0.37  1.0
  O  O15  1  0.01  0.04  0.82  1.0
  O  O16  1  0.01  0.04  0.72  1.0
  O  O17  1  0.01  0.0  0.73  1.0
  O  O18  1  0.01  0.83  0.72  1.0
  O  O19  1  0.01  0.84  0.82  1.0
  O  O20  1  0.0  0.94  0.74  1.0
  O  O21  1  0.0  0.14  0.77  1.0
  O  O22  1  0.0  0.96  0.78  1.0
  O  O23  1  0.0  0.91  0.78  1.0
  O  O24  1  0.0  0.74  0.77  1.0

data_Zr2Ti3(PbO3)5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.49
_cell_length_b   4.02
_cell_length_c   19.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr2Ti3(PbO3)5
_chemical_formula_sum   'Zr2 Ti3 Pb5 O15'
_cell_volume   358.64
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.66  0.0  0.15  1.0
  Zr  Zr1  1  0.66  0.0  0.97  1.0
  Ti  Ti2  1  0.69  0.0  0.0  1.0
  Ti  Ti3  1  0.7  0.0  0.16  1.0
  Ti  Ti4  1  0.7  0.0  0.97  1.0
  Pb  Pb5  1  0.69  0.0  0.06  1.0
  Pb  Pb6  1  0.69  0.0  0.22  1.0
  Pb  Pb7  1  0.69  0.0  0.9  1.0
  Pb  Pb8  1  0.71  0.0  0.04  1.0
  Pb  Pb9  1  0.71  0.0  0.08  1.0
  O  O10  1  0.18  0.0  0.16  1.0
  O  O11  1  0.18  0.0  0.96  1.0
  O  O12  1  0.22  0.0  0.04  1.0
  O  O13  1  0.22  0.0  0.09  1.0
  O  O14  1  0.23  0.0  0.26  1.0
  O  O15  1  0.23  0.0  0.86  1.0
  O  O16  1  0.26  0.0  0.06  1.0
  O  O17  1  0.27  0.0  0.0  1.0
  O  O18  1  0.28  0.0  0.17  1.0
  O  O19  1  0.28  0.0  0.96  1.0
  O  O20  1  0.44  0.0  0.0  1.0
  O  O21  1  0.45  0.0  0.14  1.0
  O  O22  1  0.45  0.0  0.98  1.0
  O  O23  1  0.63  0.0  0.15  1.0
  O  O24  1  0.63  0.0  0.98  1.0

Zr Zr Ti Ti Ti Pb Pb Pb Pb Pb O O O O O O O O O O O O O O O
Zr Zr Ti Ti Ti Pb Pb Pb Pb Pb O O O O O O O O O O O O O O O 0 10 o o o 0 2 o o o 0 3 o o o 0 6 o o o 1 4 o o o 1 14 o o o 1 9 o o o 1 13 o o o 2 3 o o o 2 6 o o o 3 10 o o o 4 9 o o o 5 8 o o o 5 7 o o o 6 10 o o o 9 14 o o o 11 12 o o o 11 17 o o o 12 17 o o o 13 14 o o o 13 18 o o o 15 16 o o o 15 21 o o o 16 17 o o o 16 21 o o o 17 22 o - o 18 19 o o o 18 24 o o o 19 24 o o o 20 23 o o o 20 22 o o o 