data_Ru3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru3Pb
_chemical_formula_sum   'Ru12 Pb4'
_cell_volume   257.67
_cell_formula_units_Z   4
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  0.58  0.47  0.59  1.0
  Ru  Ru5  1  0.58  0.47  0.0  1.0
  Ru  Ru6  1  0.42  0.47  0.59  1.0
  Ru  Ru7  1  0.85  0.0  0.59  1.0
  Ru  Ru8  1  0.85  0.0  0.0  1.0
  Ru  Ru9  1  0.42  0.47  0.0  1.0
  Ru  Ru10  1  0.41  0.1  0.88  1.0
  Ru  Ru11  1  0.44  0.83  0.29  1.0
  Ru  Ru12  1  0.59  0.1  0.88  1.0
  Ru  Ru13  1  0.0  0.66  0.88  1.0
  Ru  Ru14  1  0.85  0.27  0.29  1.0
  Ru  Ru15  1  0.25  0.83  0.29  1.0
  Pb  Pb0  1  0.0  0.0  0.59  1.0
  Pb  Pb1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.85  0.64  0.88  1.0
  Pb  Pb3  1  0.0  0.29  0.29  1.0

data_Ru3Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru3Pb
_chemical_formula_sum   'Ru12 Pb4'
_cell_volume   257.67
_cell_formula_units_Z   4
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  Ru0  1  0.0  0.66  0.88  1.0
  Ru  Ru1  1  0.25  0.83  0.29  1.0
  Ru  Ru2  1  0.41  0.1  0.88  1.0
  Ru  Ru3  1  0.42  0.47  0.0  1.0
  Ru  Ru4  1  0.42  0.47  0.59  1.0
  Ru  Ru5  1  0.44  0.83  0.29  1.0
  Ru  Ru6  1  0.58  0.47  0.0  1.0
  Ru  Ru7  1  0.58  0.47  0.59  1.0
  Ru  Ru8  1  0.59  0.1  0.88  1.0
  Ru  Ru9  1  0.85  0.0  0.0  1.0
  Ru  Ru10  1  0.85  0.0  0.59  1.0
  Ru  Ru11  1  0.85  0.27  0.29  1.0
  Pb  Pb12  1  0.0  0.0  0.0  1.0
  Pb  Pb13  1  0.0  0.0  0.59  1.0
  Pb  Pb14  1  0.0  0.29  0.29  1.0
  Pb  Pb15  1  0.85  0.64  0.88  1.0

Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Pb Pb Pb Pb
Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Pb Pb Pb Pb 0 2 o o o 1 5 o o o 3 12 + o o 4 13 + o o 6 8 o o o 7 11 o o o 9 14 - o o 10 15 + o o 