data_SiRuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRuRh2
_chemical_formula_sum   'Si1 Ru1 Rh2'
_cell_volume   54.52
_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
  Ru  Ru2  1  0.68  0.0  0.0  1.0
  Rh  Rh0  1  0.34  0.85  0.37  1.0
  Rh  Rh1  1  0.34  0.15  0.37  1.0

data_SiRuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   107.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRuRh2
_chemical_formula_sum   'Si1 Ru1 Rh2'
_cell_volume   54.52
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.68  0.0  1.0
  Rh  Rh2  1  0.37  0.34  0.85  1.0
  Rh  Rh3  1  0.37  0.34  0.15  1.0

Si Ru Rh Rh
Si Ru Rh Rh 0 1 - o o 2 3 o + o 