data_ReSiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiPb
_chemical_formula_sum   'Re1 Si1 Pb1'
_cell_volume   58.0
_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  0.0  0.86  0.4  1.0
  Si  Si2  1  0.0  0.0  0.96  1.0
  Pb  Pb0  1  0.61  0.93  0.09  1.0

data_ReSiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiPb
_chemical_formula_sum   'Re1 Si1 Pb1'
_cell_volume   58.0
_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
  Si  Si0  1  0.0  0.0  0.96  1.0
  Re  Re1  1  0.0  0.86  0.4  1.0
  Pb  Pb2  1  0.61  0.93  0.09  1.0

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