data_MoRhCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   110.53
_cell_angle_beta   110.53
_cell_angle_gamma   107.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRhCl2
_chemical_formula_sum   'Mo1 Rh1 Cl2'
_cell_volume   66.98
_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
  Mo  Mo2  1  0.0  0.0  0.63  1.0
  Rh  Rh3  1  0.0  0.53  0.31  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.53  0.0  0.31  1.0

data_MoRhCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   107.37
_cell_angle_beta   110.53
_cell_angle_gamma   110.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoRhCl2
_chemical_formula_sum   'Mo1 Rh1 Cl2'
_cell_volume   66.98
_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
  Mo  Mo0  1  0.63  0.63  0.63  1.0
  Rh  Rh1  1  0.31  0.31  0.79  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.31  0.79  0.31  1.0

Mo Rh Cl Cl
MoRhCl2 crystallizes in the triclinic P1 space group. Mo(1) is bonded in a 2-coordinate geometry to one Rh(1), one Cl(1), and one Cl(2) atom. The Mo(1)-Rh(1) bond length is 2.07 Å. The Mo(1)-Cl(1) bond length is 1.66 Å. The Mo(1)-Cl(2) bond length is 2.07 Å. Rh(1) is bonded in a 4-coordinate geometry to one Mo(1), one Cl(1), and two equivalent Cl(2) atoms. The Rh(1)-Cl(1) bond length is 2.25 Å. Both Rh(1)-Cl(2) bond lengths are 2.63 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Rh(1) atom. In the second Cl site, Cl(2) is bonded in a 1-coordinate geometry to one Mo(1) and two equivalent Rh(1) atoms.