data_Cu5Pb24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.58
_cell_length_b   10.58
_cell_length_c   10.58
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu5Pb24
_chemical_formula_sum   'Cu5 Pb24'
_cell_volume   912.2
_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
  Cu  Cu0  1  0.2  0.8  0.2  1.0
  Cu  Cu1  1  0.8  0.2  0.2  1.0
  Cu  Cu2  1  0.2  0.2  0.8  1.0
  Cu  Cu3  1  0.91  0.91  0.91  1.0
  Cu  Cu4  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.14  0.86  0.53  1.0
  Pb  Pb6  1  0.86  0.14  0.53  1.0
  Pb  Pb7  1  0.14  0.14  0.69  1.0
  Pb  Pb8  1  0.97  0.97  0.58  1.0
  Pb  Pb9  1  0.14  0.69  0.14  1.0
  Pb  Pb10  1  0.97  0.58  0.97  1.0
  Pb  Pb11  1  0.86  0.53  0.14  1.0
  Pb  Pb12  1  0.14  0.53  0.86  1.0
  Pb  Pb13  1  0.53  0.86  0.14  1.0
  Pb  Pb14  1  0.53  0.14  0.86  1.0
  Pb  Pb15  1  0.58  0.97  0.97  1.0
  Pb  Pb16  1  0.69  0.14  0.14  1.0
  Pb  Pb17  1  0.28  0.72  0.85  1.0
  Pb  Pb18  1  0.72  0.28  0.85  1.0
  Pb  Pb19  1  0.39  0.39  0.26  1.0
  Pb  Pb20  1  0.72  0.72  0.36  1.0
  Pb  Pb21  1  0.39  0.26  0.39  1.0
  Pb  Pb22  1  0.72  0.36  0.72  1.0
  Pb  Pb23  1  0.72  0.85  0.28  1.0
  Pb  Pb24  1  0.28  0.85  0.72  1.0
  Pb  Pb25  1  0.85  0.72  0.28  1.0
  Pb  Pb26  1  0.85  0.28  0.72  1.0
  Pb  Pb27  1  0.36  0.72  0.72  1.0
  Pb  Pb28  1  0.26  0.39  0.39  1.0

data_Cu5Pb24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   17.28
_cell_length_b   17.28
_cell_length_c   10.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cu5Pb24
_chemical_formula_sum   'Cu15 Pb72'
_cell_volume   2736.6
_cell_formula_units_Z   3
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  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'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Cu  Cu0  9  0.07  0.53  0.73  1.0
  Cu  Cu1  3  0.0  0.0  0.0  1.0
  Cu  Cu2  3  0.0  0.0  0.91  1.0
  Pb  Pb3  18  0.01  0.32  0.84  1.0
  Pb  Pb4  18  0.1  0.33  0.62  1.0
  Pb  Pb5  9  0.03  0.52  0.66  1.0
  Pb  Pb6  9  0.05  0.09  0.35  1.0
  Pb  Pb7  9  0.08  0.54  0.51  1.0
  Pb  Pb8  9  0.1  0.55  0.27  1.0

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