data_SiIrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   129.68
_cell_angle_beta   129.68
_cell_angle_gamma   73.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIrRh2
_chemical_formula_sum   'Si1 Ir1 Rh2'
_cell_volume   55.05
_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
  Ir  Ir0  1  0.94  0.0  0.82  1.0
  Rh  Rh1  1  0.0  0.0  0.65  1.0
  Rh  Rh2  1  0.0  0.94  0.82  1.0

data_SiIrRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.57
_cell_angle_alpha   115.16
_cell_angle_beta   115.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiIrRh2
_chemical_formula_sum   'Si1 Ir1 Rh2'
_cell_volume   55.05
_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
  Ir  Ir1  1  0.18  0.0  0.12  1.0
  Rh  Rh2  1  0.12  0.94  0.12  1.0
  Rh  Rh3  1  0.35  0.0  0.35  1.0

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