data_SrPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   8.47
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPbO3
_chemical_formula_sum   'Sr4 Pb4 O12'
_cell_volume   307.86
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.31  0.35  0.9  1.0
  Sr  Sr1  1  0.74  0.12  0.87  1.0
  Sr  Sr2  1  0.79  0.12  0.05  1.0
  Sr  Sr3  1  0.37  0.35  0.08  1.0
  Pb  Pb4  1  0.0  0.23  0.0  1.0
  Pb  Pb5  1  0.05  0.0  0.97  1.0
  Pb  Pb6  1  0.05  0.23  0.97  1.0
  Pb  Pb7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.8  0.35  0.58  1.0
  O  O9  1  0.87  0.02  0.79  1.0
  O  O10  1  0.25  0.12  0.61  1.0
  O  O11  1  0.82  0.02  0.18  1.0
  O  O12  1  0.87  0.69  0.79  1.0
  O  O13  1  0.86  0.35  0.34  1.0
  O  O14  1  0.29  0.45  0.76  1.0
  O  O15  1  0.24  0.45  0.16  1.0
  O  O16  1  0.31  0.12  0.37  1.0
  O  O17  1  0.29  0.78  0.76  1.0
  O  O18  1  0.24  0.78  0.16  1.0
  O  O19  1  0.82  0.69  0.18  1.0

data_SrPbO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.95
_cell_length_b   6.11
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPbO3
_chemical_formula_sum   'Sr4 Pb4 O12'
_cell_volume   307.86
_cell_formula_units_Z   4
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
  Sr  Sr0  1  0.05  0.79  0.12  1.0
  Sr  Sr1  1  0.08  0.37  0.35  1.0
  Sr  Sr2  1  0.87  0.74  0.12  1.0
  Sr  Sr3  1  0.9  0.31  0.35  1.0
  Pb  Pb4  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.0  -0.0  0.23  1.0
  Pb  Pb6  1  0.97  0.05  0.0  1.0
  Pb  Pb7  1  0.97  0.05  0.23  1.0
  O  O8  1  0.16  0.24  0.45  1.0
  O  O9  1  0.16  0.24  0.78  1.0
  O  O10  1  0.18  0.82  0.02  1.0
  O  O11  1  0.18  0.82  0.69  1.0
  O  O12  1  0.34  0.86  0.35  1.0
  O  O13  1  0.37  0.31  0.12  1.0
  O  O14  1  0.58  0.8  0.35  1.0
  O  O15  1  0.61  0.25  0.12  1.0
  O  O16  1  0.76  0.29  0.45  1.0
  O  O17  1  0.76  0.29  0.78  1.0
  O  O18  1  0.79  0.87  0.02  1.0
  O  O19  1  0.79  0.87  0.69  1.0

Sr Sr Sr Sr Pb Pb Pb Pb O O O O O O O O O O O O
Sr Sr Sr Sr Pb Pb Pb Pb O O O O O O O O O O O O 0 14 o o o 0 3 o o + 1 9 o o o 1 2 o o + 2 11 o o o 3 15 o o o 4 6 o o - 5 7 o o + 5 9 - o o 5 12 - - o 5 17 o - o 5 18 o - + 7 9 - o - 7 12 - - - 7 17 o - - 7 18 o - o 7 19 - - o 8 13 o o o 8 12 o o o 9 12 o - o 10 16 o o o 10 17 o - o 11 19 o - o 12 19 o o + 12 17 + o o 13 19 o o o 14 17 o o o 15 18 o o o 17 18 o o + 18 19 - o o 