data_Al2MoRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   148.17
_cell_angle_beta   124.38
_cell_angle_gamma   65.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoRh
_chemical_formula_sum   'Al2 Mo1 Rh1'
_cell_volume   60.37
_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  0.42  0.0  0.31  1.0
  Al  Al1  1  0.0  0.42  0.06  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.37  1.0

data_Al2MoRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.85
_cell_length_c   5.2
_cell_angle_alpha   117.81
_cell_angle_beta   105.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoRh
_chemical_formula_sum   'Al2 Mo1 Rh1'
_cell_volume   60.37
_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  0.12  0.69  0.12  1.0
  Al  Al1  1  0.94  0.36  0.36  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.63  0.63  0.63  1.0

Al Al Mo Rh
Al Al Mo Rh 0 2 o o o 1 3 o + o 1 3 o o - 1 2 o o o 2 3 o o o 
MoRhAl2 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 3-coordinate geometry to one Rh(1), one Al(1), and one Al(2) atom. The Mo(1)-Rh(1) bond length is 1.92 Å. The Mo(1)-Al(1) bond length is 1.85 Å. The Mo(1)-Al(2) bond length is 1.93 Å. Rh(1) is bonded in a 5-coordinate geometry to one Mo(1), two equivalent Al(1), and two equivalent Al(2) atoms. There is one shorter (2.41 Å) and one longer (2.81 Å) Rh(1)-Al(1) bond length. There is one shorter (1.84 Å) and one longer (2.09 Å) Rh(1)-Al(2) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent Rh(1) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Rh(1) atoms.