data_SiRu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   2.75
_cell_angle_alpha   103.68
_cell_angle_beta   103.68
_cell_angle_gamma   121.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRu2Rh
_chemical_formula_sum   'Si1 Ru2 Rh1'
_cell_volume   55.96
_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  Ru1  1  0.61  0.72  0.2  1.0
  Ru  Ru2  1  0.61  0.28  0.2  1.0
  Rh  Rh0  1  0.55  0.0  0.0  1.0

data_SiRu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.47
_cell_length_c   5.23
_cell_angle_alpha   114.32
_cell_angle_beta   103.68
_cell_angle_gamma   93.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRu2Rh
_chemical_formula_sum   'Si1 Ru2 Rh1'
_cell_volume   55.96
_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  0.48  0.28  0.89  1.0
  Ru  Ru2  1  0.92  0.72  0.33  1.0
  Rh  Rh3  1  0.0  0.0  0.55  1.0

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