data_ReRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   133.81
_cell_angle_beta   133.81
_cell_angle_gamma   67.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu2Pb
_chemical_formula_sum   'Re1 Ru2 Pb1'
_cell_volume   65.21
_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  Re1  1  0.0  0.0  0.19  1.0
  Ru  Ru2  1  0.0  0.97  0.09  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.97  0.0  0.09  1.0

data_ReRu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.03
_cell_angle_alpha   113.09
_cell_angle_beta   113.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu2Pb
_chemical_formula_sum   'Re1 Ru2 Pb1'
_cell_volume   65.21
_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  0.81  0.0  0.81  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.88  0.97  0.88  1.0
  Pb  Pb3  1  0.91  0.0  0.88  1.0

Re Ru Ru Pb