data_Bi5Pb24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67
_cell_length_b   10.67
_cell_length_c   10.67
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi5Pb24
_chemical_formula_sum   'Bi5 Pb24'
_cell_volume   935.64
_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
  Bi  Bi0  1  0.25  0.75  0.25  1.0
  Bi  Bi1  1  0.75  0.25  0.25  1.0
  Bi  Bi2  1  0.25  0.25  0.75  1.0
  Bi  Bi3  1  0.91  0.91  0.91  1.0
  Bi  Bi4  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.17  0.83  0.59  1.0
  Pb  Pb6  1  0.83  0.17  0.59  1.0
  Pb  Pb7  1  0.17  0.17  0.73  1.0
  Pb  Pb8  1  0.99  0.99  0.57  1.0
  Pb  Pb9  1  0.17  0.73  0.17  1.0
  Pb  Pb10  1  0.99  0.57  0.99  1.0
  Pb  Pb11  1  0.83  0.59  0.17  1.0
  Pb  Pb12  1  0.17  0.59  0.83  1.0
  Pb  Pb13  1  0.59  0.83  0.17  1.0
  Pb  Pb14  1  0.59  0.17  0.83  1.0
  Pb  Pb15  1  0.57  0.99  0.99  1.0
  Pb  Pb16  1  0.73  0.17  0.17  1.0
  Pb  Pb17  1  0.3  0.7  0.85  1.0
  Pb  Pb18  1  0.7  0.3  0.85  1.0
  Pb  Pb19  1  0.46  0.46  0.31  1.0
  Pb  Pb20  1  0.7  0.7  0.47  1.0
  Pb  Pb21  1  0.46  0.31  0.46  1.0
  Pb  Pb22  1  0.7  0.47  0.7  1.0
  Pb  Pb23  1  0.7  0.85  0.3  1.0
  Pb  Pb24  1  0.3  0.85  0.7  1.0
  Pb  Pb25  1  0.85  0.7  0.3  1.0
  Pb  Pb26  1  0.85  0.3  0.7  1.0
  Pb  Pb27  1  0.47  0.7  0.7  1.0
  Pb  Pb28  1  0.31  0.46  0.46  1.0

data_Bi5Pb24
_symmetry_space_group_name_H-M   R3m
_cell_length_a   17.43
_cell_length_b   17.43
_cell_length_c   10.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Bi5Pb24
_chemical_formula_sum   'Bi15 Pb72'
_cell_volume   2806.91
_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
  Bi  Bi0  9  0.0  0.5  0.75  1.0
  Bi  Bi1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.91  1.0
  Pb  Pb3  18  0.02  0.43  0.28  1.0
  Pb  Pb4  18  0.06  0.36  0.53  1.0
  Pb  Pb5  9  0.04  0.52  0.69  1.0
  Pb  Pb6  9  0.05  0.1  0.41  1.0
  Pb  Pb7  9  0.05  0.53  0.52  1.0
  Pb  Pb8  9  0.08  0.15  0.62  1.0

Bi Bi Bi Bi Bi Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb