data_Ru2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru2PbAu
_chemical_formula_sum   'Ru2 Pb1 Au1'
_cell_volume   73.83
_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
  Ru  Ru2  1  0.0  0.0  0.36  1.0
  Ru  Ru3  1  0.47  0.47  0.9  1.0
  Pb  Pb1  1  0.47  0.47  0.61  1.0
  Au  Au0  1  0.0  0.0  0.92  1.0

data_Ru2PbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ru2PbAu
_chemical_formula_sum   'Ru4 Pb2 Au2'
_cell_volume   147.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.36  1.0
  Ru  Ru1  2  0.47  0.0  0.9  1.0
  Pb  Pb2  2  0.47  0.0  0.61  1.0
  Au  Au3  2  0.0  0.0  0.92  1.0

Ru Ru Pb Au
Ru Ru Pb Au 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 0 + o o 0 0 o + o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o o 2 3 o o o 2 3 o + o 2 3 + o o 2 2 + o o 2 2 o + o 