data_Re4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83
_cell_length_b   7.83
_cell_length_c   7.83
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re4Pb
_chemical_formula_sum   'Re16 Pb4'
_cell_volume   370.11
_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
  Re  Re4  1  0.96  0.96  0.96  1.0
  Re  Re5  1  0.43  0.57  0.57  1.0
  Re  Re6  1  0.57  0.43  0.57  1.0
  Re  Re7  1  0.57  0.57  0.43  1.0
  Re  Re8  1  0.0  0.0  0.84  1.0
  Re  Re9  1  0.0  0.0  0.21  1.0
  Re  Re10  1  0.0  0.84  0.0  1.0
  Re  Re11  1  0.0  0.21  0.0  1.0
  Re  Re12  1  0.84  0.0  0.0  1.0
  Re  Re13  1  0.21  0.0  0.0  1.0
  Re  Re14  1  0.52  0.0  0.26  1.0
  Re  Re15  1  0.0  0.52  0.26  1.0
  Re  Re16  1  0.0  0.26  0.52  1.0
  Re  Re17  1  0.52  0.26  0.0  1.0
  Re  Re18  1  0.26  0.52  0.0  1.0
  Re  Re19  1  0.26  0.0  0.52  1.0
  Pb  Pb0  1  0.41  0.41  0.41  1.0
  Pb  Pb1  1  0.89  0.11  0.11  1.0
  Pb  Pb2  1  0.11  0.89  0.11  1.0
  Pb  Pb3  1  0.11  0.11  0.89  1.0

data_Re4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.79
_cell_length_b   12.79
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Re4Pb
_chemical_formula_sum   'Re48 Pb12'
_cell_volume   1110.34
_cell_formula_units_Z   12
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
  Re  Re0  18  0.0  0.26  0.26  1.0
  Re  Re1  9  0.04  0.09  0.52  1.0
  Re  Re2  9  0.05  0.11  0.95  1.0
  Re  Re3  9  0.14  0.07  0.07  1.0
  Re  Re4  3  0.0  0.0  0.96  1.0
  Pb  Pb5  9  0.08  0.15  0.04  1.0
  Pb  Pb6  3  0.0  0.0  0.41  1.0

Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Pb Pb Pb Pb
Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Pb Pb Pb Pb 0 8 o + + 0 6 + o + 0 4 + + o 0 5 + + + 0 7 + + + 0 9 + + + 1 16 o o o 1 11 o o o 1 12 o o o 2 16 o o o 2 10 o o o 2 15 o o o 3 16 o o o 3 13 o o o 3 14 o o o 4 19 o o o 4 7 o o + 4 9 o o + 4 13 o o + 4 14 o o + 5 17 - o o 5 8 - o o 5 18 o - o 5 6 o - o 5 12 o o o 5 15 o o o 6 18 o o o 6 9 o + o 6 10 o + o 6 15 o + o 7 17 - o o 7 8 - o o 7 19 o o - 7 11 o o o 7 14 o o o 8 17 o o o 8 11 + o o 8 12 + o o 9 18 o - o 9 19 o o - 9 10 o o o 9 13 o o o 10 14 o - o 10 18 o - o 10 13 o o o 10 15 o o o 10 17 o o o 10 12 + o o 11 13 - o o 11 18 o o o 11 12 o o o 11 17 - o o 11 14 o o o 11 15 o + o 12 17 - o o 12 19 o o o 12 15 o o o 12 14 o o + 13 15 o o - 13 19 o o - 13 14 o o o 13 17 o o o 14 18 o o o 14 19 o o - 15 18 o - o 15 19 o o o 