data_Re5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5Pb
_chemical_formula_sum   'Re5 Pb1'
_cell_volume   107.79
_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
  Re  Re1  1  0.58  0.49  0.0  1.0
  Re  Re2  1  0.0  0.98  0.0  1.0
  Re  Re3  1  0.71  0.23  0.34  1.0
  Re  Re4  1  0.29  0.23  0.34  1.0
  Re  Re5  1  0.58  0.0  0.34  1.0
  Pb  Pb0  1  0.0  0.0  0.0  1.0

data_Re5Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5Pb
_chemical_formula_sum   'Re5 Pb1'
_cell_volume   107.79
_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
  Re  Re0  1  0.0  0.0  0.98  1.0
  Re  Re1  1  0.0  0.58  0.49  1.0
  Re  Re2  1  0.34  0.29  0.23  1.0
  Re  Re3  1  0.34  0.58  0.0  1.0
  Re  Re4  1  0.34  0.71  0.23  1.0
  Pb  Pb5  1  0.0  0.0  0.0  1.0

Re Re Re Re Re Pb
Re Re Re Re Re Pb 0 3 o o o 0 2 o o o 0 5 + + o 0 1 + o o 1 5 o + o 1 3 o + o 2 4 o o o 2 3 o o o 3 5 o o o 3 4 o o o 