data_Si2GeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.83
_cell_angle_alpha   97.28
_cell_angle_beta   97.28
_cell_angle_gamma   40.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2GeRu
_chemical_formula_sum   'Si2 Ge1 Ru1'
_cell_volume   59.85
_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  Si2  1  0.11  0.0  0.37  1.0
  Si  Si3  1  0.44  0.0  0.42  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.78  0.0  0.39  1.0

data_Si2GeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.38
_cell_length_c   4.83
_cell_angle_alpha   97.28
_cell_angle_beta   90.0
_cell_angle_gamma   110.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2GeRu
_chemical_formula_sum   'Si2 Ge1 Ru1'
_cell_volume   59.85
_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  Si0  1  0.0  0.56  0.58  1.0
  Si  Si1  1  0.0  0.89  0.63  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.22  0.61  1.0

Si Si Ge Ru