data_RuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   9.22
_cell_angle_alpha   112.41
_cell_angle_beta   112.41
_cell_angle_gamma   33.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPb2
_chemical_formula_sum   'Ru2 Pb4'
_cell_volume   142.62
_cell_formula_units_Z   2
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
  Ru  Ru4  1  0.61  0.0  0.43  1.0
  Ru  Ru5  1  0.25  0.0  0.03  1.0
  Pb  Pb0  1  0.99  0.0  0.65  1.0
  Pb  Pb1  1  0.67  0.0  0.92  1.0
  Pb  Pb2  1  0.19  0.0  0.53  1.0
  Pb  Pb3  1  0.87  0.0  0.8  1.0

data_RuPb2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.2
_cell_length_b   5.51
_cell_length_c   8.75
_cell_angle_alpha   76.85
_cell_angle_beta   79.47
_cell_angle_gamma   73.11
_symmetry_Int_Tables_number   2
_chemical_formula_structural   RuPb2
_chemical_formula_sum   'Ru2 Pb4'
_cell_volume   142.62
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ru  Ru0  2  0.0  0.02  0.8  1.0
  Pb  Pb1  2  0.0  0.13  0.43  1.0
  Pb  Pb2  2  0.0  0.46  0.31  1.0

Ru Ru Pb Pb Pb Pb