data_RePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePb2
_chemical_formula_sum   'Re1 Pb2'
_cell_volume   71.21
_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  Re2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.07  0.45  1.0
  Pb  Pb1  1  0.66  0.54  0.45  1.0

data_RePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePb2
_chemical_formula_sum   'Re1 Pb2'
_cell_volume   71.21
_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  0.0  1.0
  Pb  Pb1  1  0.45  0.0  0.07  1.0
  Pb  Pb2  1  0.45  0.66  0.54  1.0

Re Pb Pb
Re Pb Pb 0 1 o o - 0 1 o o o 0 2 - - o 0 2 - - - 1 2 o o o 1 2 - - o 2 2 o o + 