data_Pd24Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.66
_cell_length_b   8.66
_cell_length_c   8.66
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd24Pb5
_chemical_formula_sum   'Pd24 Pb5'
_cell_volume   500.67
_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
  Pd  Pd5  1  0.94  0.06  0.86  1.0
  Pd  Pd6  1  0.06  0.94  0.86  1.0
  Pd  Pd7  1  0.94  0.94  0.14  1.0
  Pd  Pd8  1  0.06  0.06  0.14  1.0
  Pd  Pd9  1  0.94  0.14  0.94  1.0
  Pd  Pd10  1  0.06  0.14  0.06  1.0
  Pd  Pd11  1  0.06  0.86  0.94  1.0
  Pd  Pd12  1  0.94  0.86  0.06  1.0
  Pd  Pd13  1  0.86  0.06  0.94  1.0
  Pd  Pd14  1  0.86  0.94  0.06  1.0
  Pd  Pd15  1  0.14  0.06  0.06  1.0
  Pd  Pd16  1  0.14  0.94  0.94  1.0
  Pd  Pd17  1  0.65  0.35  0.5  1.0
  Pd  Pd18  1  0.35  0.65  0.5  1.0
  Pd  Pd19  1  0.65  0.65  0.51  1.0
  Pd  Pd20  1  0.35  0.35  0.51  1.0
  Pd  Pd21  1  0.65  0.51  0.65  1.0
  Pd  Pd22  1  0.35  0.51  0.35  1.0
  Pd  Pd23  1  0.35  0.5  0.65  1.0
  Pd  Pd24  1  0.65  0.5  0.35  1.0
  Pd  Pd25  1  0.5  0.35  0.65  1.0
  Pd  Pd26  1  0.5  0.65  0.35  1.0
  Pd  Pd27  1  0.51  0.35  0.35  1.0
  Pd  Pd28  1  0.51  0.65  0.65  1.0
  Pb  Pb0  1  0.09  0.91  0.09  1.0
  Pb  Pb1  1  0.91  0.09  0.09  1.0
  Pb  Pb2  1  0.09  0.09  0.91  1.0
  Pb  Pb3  1  0.91  0.91  0.91  1.0
  Pb  Pb4  1  0.0  0.0  0.0  1.0

data_Pd24Pb5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.15
_cell_length_b   14.15
_cell_length_c   8.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Pd24Pb5
_chemical_formula_sum   'Pd72 Pb15'
_cell_volume   1502.0
_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
  Pd  Pd0  18  0.11  0.01  0.95  1.0
  Pd  Pd1  18  0.15  0.0  0.5  1.0
  Pd  Pd2  9  0.05  0.1  0.6  1.0
  Pd  Pd3  9  0.05  0.03  0.09  1.0
  Pd  Pd4  9  0.11  0.05  0.4  1.0
  Pd  Pd5  9  0.14  0.07  0.01  1.0
  Pb  Pb6  9  0.06  0.12  0.03  1.0
  Pb  Pb7  3  0.0  0.0  0.0  1.0
  Pb  Pb8  3  0.0  0.0  0.91  1.0

Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pb Pb Pb Pb Pb