data_RuPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   144.76
_cell_angle_beta   137.52
_cell_angle_gamma   56.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPbAu
_chemical_formula_sum   'Ru1 Pb1 Au1'
_cell_volume   57.72
_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  0.22  1.0
  Pb  Pb1  1  0.0  0.0  0.06  1.0
  Au  Au0  1  0.0  0.0  0.08  1.0

data_RuPbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.84
_cell_length_c   5.3
_cell_angle_alpha   111.24
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPbAu
_chemical_formula_sum   'Ru1 Pb1 Au1'
_cell_volume   57.72
_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  Ru0  1  0.0  0.22  0.22  1.0
  Pb  Pb1  1  0.0  0.06  0.06  1.0
  Au  Au2  1  0.0  0.08  0.08  1.0

Ru Pb Au
Ru Pb Au 0 2 o o o 0 1 o o o 1 2 o o o 