data_Ba4Cu3PbO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Cu3PbO9
_chemical_formula_sum   'Ba8 Cu6 Pb2 O18'
_cell_volume   549.93
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.05  0.05  0.05  1.0
  Ba  Ba1  1  0.14  0.14  0.05  1.0
  Ba  Ba2  1  0.14  0.05  0.14  1.0
  Ba  Ba3  1  0.05  0.14  0.14  1.0
  Ba  Ba4  1  0.05  0.14  0.05  1.0
  Ba  Ba5  1  0.14  0.05  0.05  1.0
  Ba  Ba6  1  0.05  0.05  0.14  1.0
  Ba  Ba7  1  0.14  0.14  0.14  1.0
  Cu  Cu8  1  0.1  0.0  0.1  1.0
  Cu  Cu9  1  0.1  0.0  0.0  1.0
  Cu  Cu10  1  0.0  0.1  0.0  1.0
  Cu  Cu11  1  0.0  0.0  0.1  1.0
  Cu  Cu12  1  0.1  0.1  0.0  1.0
  Cu  Cu13  1  0.0  0.1  0.1  1.0
  Pb  Pb14  1  0.1  0.1  0.1  1.0
  Pb  Pb15  1  0.0  0.0  0.0  1.0
  O  O16  1  0.0  0.1  0.05  1.0
  O  O17  1  0.1  0.1  0.87  1.0
  O  O18  1  0.87  0.1  0.1  1.0
  O  O19  1  0.1  0.14  0.0  1.0
  O  O20  1  0.05  0.0  0.1  1.0
  O  O21  1  0.14  0.0  0.1  1.0
  O  O22  1  0.1  0.05  0.0  1.0
  O  O23  1  0.0  0.0  0.22  1.0
  O  O24  1  0.0  0.0  0.97  1.0
  O  O25  1  0.0  0.22  0.0  1.0
  O  O26  1  0.1  0.32  0.1  1.0
  O  O27  1  0.22  0.0  0.0  1.0
  O  O28  1  0.97  0.0  0.0  1.0
  O  O29  1  0.1  0.87  0.1  1.0
  O  O30  1  0.0  0.1  0.14  1.0
  O  O31  1  0.1  0.1  0.32  1.0
  O  O32  1  0.32  0.1  0.1  1.0
  O  O33  1  0.0  0.97  0.0  1.0

data_Ba4Cu3PbO9
_symmetry_space_group_name_H-M   R3
_cell_length_a   11.59
_cell_length_b   11.59
_cell_length_c   14.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ba4Cu3PbO9
_chemical_formula_sum   'Ba24 Cu18 Pb6 O54'
_cell_volume   1649.78
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Ba  Ba0  9  0.03  0.06  0.11  1.0
  Ba  Ba1  9  0.06  0.03  0.08  1.0
  Ba  Ba2  3  0.0  0.0  0.05  1.0
  Ba  Ba3  3  0.0  0.0  0.14  1.0
  Cu  Cu4  9  0.03  0.97  0.06  1.0
  Cu  Cu5  9  0.06  0.03  0.03  1.0
  Pb  Pb6  3  0.0  0.0  0.0  1.0
  Pb  Pb7  3  0.0  0.0  0.1  1.0
  O  O8  9  0.0  0.95  0.05  1.0
  O  O9  9  0.01  0.02  0.99  1.0
  O  O10  9  0.02  0.08  0.08  1.0
  O  O11  9  0.07  0.93  0.02  1.0
  O  O12  9  0.15  0.07  0.07  1.0
  O  O13  9  0.15  0.07  0.17  1.0

Ba Ba Ba Ba Ba Ba Ba Ba Cu Cu Cu Cu Cu Cu Pb Pb O O O O O O O O O O O O O O O O O O
Ba Ba Ba Ba Ba Ba Ba Ba Cu Cu Cu Cu Cu Cu Pb Pb O O O O O O O O O O O O O O O O O O 0 15 o o o 0 11 o o o 0 10 o o o 0 16 o o o 0 13 o o o 0 9 o o o 0 20 o o o 0 8 o o o 0 22 o o o 0 12 o o o 0 14 o o o 1 12 o o o 1 14 o o o 1 19 o o o 1 7 o o o 1 26 o o o 1 32 o o o 2 8 o o o 2 14 o o o 2 21 o o o 2 7 o o o 2 31 o o o 2 32 o o o 3 13 o o o 3 30 o o o 3 14 o o o 3 7 o o o 3 26 o o o 3 31 o o o 4 10 o o o 4 16 o o o 4 13 o o o 4 12 o o o 4 14 o o o 4 19 o o o 4 25 o o o 4 26 o o o 5 9 o o o 5 8 o o o 5 22 o o o 5 12 o o o 5 14 o o o 5 21 o o o 5 27 o o o 5 32 o o o 6 11 o o o 6 13 o o o 6 30 o o o 6 20 o o o 6 8 o o o 6 14 o o o 6 23 o o o 6 31 o o o 7 14 o o o 7 26 o o o 7 31 o o o 7 32 o o o 8 20 o o o 8 21 o o o 8 14 o o o 8 29 o - o 9 22 o o o 9 27 o o o 10 16 o o o 10 25 o o o 11 20 o o o 11 23 o o o 12 22 o o o 12 19 o o o 12 14 o o o 12 17 o o - 13 16 o o o 13 30 o o o 13 14 o o o 13 18 - o o 15 28 - o o 15 33 o - o 15 24 o o - 16 18 - o o 17 22 o o + 17 19 o o + 18 30 + o o 19 25 o o o 19 26 o o o 20 29 o - o 21 27 o o o 21 29 o - o 21 32 o o o 23 30 o o o 23 31 o o o 25 26 o o o 27 32 o o o 30 31 o o o 