data_AlIr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   130.63
_cell_angle_beta   130.63
_cell_angle_gamma   72.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr2Rh
_chemical_formula_sum   'Al1 Ir2 Rh1'
_cell_volume   57.17
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.95  0.0  0.88  1.0
  Ir  Ir2  1  0.0  0.95  0.88  1.0
  Rh  Rh3  1  0.0  0.0  0.76  1.0

data_AlIr2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   126.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlIr2Rh
_chemical_formula_sum   'Al2 Ir4 Rh2'
_cell_volume   114.35
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  4  0.03  0.97  0.93  1.0
  Rh  Rh2  2  0.0  0.0  0.76  1.0

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