data_CdPbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdPbO6
_chemical_formula_sum   'Cd4 Pb4 O24'
_cell_volume   490.95
_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
  Cd  Cd0  1  0.97  0.92  0.92  1.0
  Cd  Cd1  1  0.92  0.92  0.97  1.0
  Cd  Cd2  1  0.92  0.97  0.92  1.0
  Cd  Cd3  1  0.97  0.97  0.97  1.0
  Pb  Pb4  1  0.92  0.97  0.97  1.0
  Pb  Pb5  1  0.97  0.97  0.92  1.0
  Pb  Pb6  1  0.97  0.92  0.97  1.0
  Pb  Pb7  1  0.92  0.92  0.92  1.0
  O  O8  1  0.05  0.2  0.23  1.0
  O  O9  1  0.83  0.2  0.66  1.0
  O  O10  1  0.83  0.69  0.23  1.0
  O  O11  1  0.05  0.69  0.66  1.0
  O  O12  1  0.23  0.05  0.2  1.0
  O  O13  1  0.66  0.83  0.2  1.0
  O  O14  1  0.23  0.83  0.69  1.0
  O  O15  1  0.66  0.05  0.69  1.0
  O  O16  1  0.2  0.23  0.05  1.0
  O  O17  1  0.2  0.66  0.83  1.0
  O  O18  1  0.69  0.23  0.83  1.0
  O  O19  1  0.69  0.66  0.05  1.0
  O  O20  1  0.89  0.63  0.6  1.0
  O  O21  1  1.0  0.63  0.29  1.0
  O  O22  1  1.0  0.26  0.6  1.0
  O  O23  1  0.89  0.26  0.29  1.0
  O  O24  1  0.6  0.89  0.63  1.0
  O  O25  1  0.29  1.0  0.63  1.0
  O  O26  1  0.6  1.0  0.26  1.0
  O  O27  1  0.29  0.89  0.26  1.0
  O  O28  1  0.63  0.6  0.89  1.0
  O  O29  1  0.63  0.29  1.0  1.0
  O  O30  1  0.26  0.6  1.0  1.0
  O  O31  1  0.26  0.29  0.89  1.0

data_CdPbO6
_symmetry_space_group_name_H-M   P23
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   195
_chemical_formula_structural   CdPbO6
_chemical_formula_sum   'Cd4 Pb4 O24'
_cell_volume   490.95
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  'x, -y, -z'
  4  '-x, y, -z'
  5  'z, x, y'
  6  'z, -x, -y'
  7  '-z, x, -y'
  8  '-z, -x, y'
  9  'y, z, x'
  10  '-y, z, -x'
  11  '-y, -z, x'
  12  'y, -z, -x'
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
  Cd  Cd0  4  0.47  0.47  0.53  1.0
  Pb  Pb1  4  0.47  0.47  0.47  1.0
  O  O2  12  0.16  0.45  0.19  1.0
  O  O3  12  0.21  0.39  0.76  1.0

Cd Cd Cd Cd Pb Pb Pb Pb O O O O O O O O O O O O O O O O O O O O O O O O
Cd Cd Cd Cd Pb Pb Pb Pb O O O O O O O O O O O O O O O O O O O O O O O O 0 7 o o o 0 6 o o o 0 5 o o o 1 7 o o o 1 6 o o o 1 4 o o o 2 7 o o o 2 5 o o o 2 4 o o o 3 4 o o o 3 6 o o o 3 5 o o o 8 23 - o o 9 22 o o o 10 21 o o o 11 20 - o o 12 27 o - o 13 26 o o o 14 25 o o o 15 24 o - o 16 31 o o - 17 30 o o o 18 29 o o o 19 28 o o - 