data_SiGeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   21.25
_cell_angle_beta   21.25
_cell_angle_gamma   21.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGeRu2
_chemical_formula_sum   'Si1 Ge1 Ru2'
_cell_volume   56.08
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.54  1.0
  Ru  Ru1  1  0.0  0.0  0.84  1.0
  Ru  Ru2  1  0.0  0.0  0.23  1.0

data_SiGeRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   2.9
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   102.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiGeRu2
_chemical_formula_sum   'Si2 Ge2 Ru4'
_cell_volume   112.17
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.46  1.0
  Ru  Ru2  2  0.0  0.0  0.16  1.0
  Ru  Ru3  2  0.0  0.0  0.77  1.0

Si Ge Ru Ru