data_Mo2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   147.48
_cell_angle_beta   131.28
_cell_angle_gamma   59.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2RhBr
_chemical_formula_sum   'Mo2 Rh1 Br1'
_cell_volume   64.24
_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  Mo1  1  0.0  0.24  0.53  1.0
  Mo  Mo2  1  0.52  0.0  0.18  1.0
  Rh  Rh3  1  0.0  0.0  0.71  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Mo2RhBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.48
_cell_length_c   5.43
_cell_angle_alpha   114.36
_cell_angle_beta   106.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2RhBr
_chemical_formula_sum   'Mo2 Rh1 Br1'
_cell_volume   64.24
_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  0.34  0.82  0.34  1.0
  Mo  Mo1  1  0.47  0.71  0.71  1.0
  Rh  Rh2  1  0.29  0.29  0.29  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Mo Mo Rh Br
Mo2RhBr crystallizes in the triclinic P1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one Mo(2), one Rh(1), and two equivalent Br(1) atoms. The Mo(1)-Mo(2) bond length is 2.20 Å. The Mo(1)-Rh(1) bond length is 2.21 Å. There is one shorter (1.90 Å) and one longer (2.40 Å) Mo(1)-Br(1) bond length. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one Mo(1), two equivalent Rh(1), and one Br(1) atom. There is one shorter (2.24 Å) and one longer (2.27 Å) Mo(2)-Rh(1) bond length. The Mo(2)-Br(1) bond length is 2.30 Å. Rh(1) is bonded in a distorted single-bond geometry to one Mo(1), two equivalent Mo(2), and one Br(1) atom. The Rh(1)-Br(1) bond length is 1.57 Å. Br(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Rh(1) atom.