data_AlRuRh2
_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   131.18
_cell_angle_beta   131.18
_cell_angle_gamma   71.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRuRh2
_chemical_formula_sum   'Al1 Ru1 Rh2'
_cell_volume   56.32
_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
  Ru  Ru3  1  0.0  0.93  0.89  1.0
  Rh  Rh1  1  0.93  0.0  0.89  1.0
  Rh  Rh2  1  0.0  0.0  0.79  1.0

data_AlRuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   4.67
_cell_angle_alpha   114.41
_cell_angle_beta   114.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRuRh2
_chemical_formula_sum   'Al1 Ru1 Rh2'
_cell_volume   56.32
_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
  Ru  Ru1  1  0.96  0.89  0.96  1.0
  Rh  Rh2  1  0.79  0.79  0.79  1.0
  Rh  Rh3  1  0.89  0.96  0.96  1.0

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