data_BMo2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BMo2Rh
_chemical_formula_sum   'B1 Mo2 Rh1'
_cell_volume   55.33
_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
  B  B0  1  0.0  0.0  0.06  1.0
  Mo  Mo1  1  0.51  0.51  0.63  1.0
  Mo  Mo2  1  0.0  0.0  0.46  1.0
  Rh  Rh3  1  0.51  0.51  0.04  1.0

data_BMo2Rh
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   BMo2Rh
_chemical_formula_sum   'B1 Mo2 Rh1'
_cell_volume   55.33
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  B  B0  1  0.0  0.0  0.06  1.0
  Mo  Mo1  1  0.0  0.0  0.46  1.0
  Mo  Mo2  1  0.5  0.5  0.63  1.0
  Rh  Rh3  1  0.5  0.5  0.04  1.0

B Mo Mo Rh
B Mo Mo Rh 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 2 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o o + 
Mo2RhB crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to four equivalent Mo(2) and one Rh(1) atom. There are a spread of Mo(1)-Mo(2) bond distances ranging from 2.34-2.40 Å. The Mo(1)-Rh(1) bond length is 2.47 Å. In the second Mo site, Mo(2) is bonded in a 5-coordinate geometry to four equivalent Mo(1) and one B(1) atom. The Mo(2)-B(1) bond length is 2.43 Å. Rh(1) is bonded to one Mo(1) and four equivalent B(1) atoms to form a mixture of edge and corner-sharing RhB4Mo square pyramids. There are a spread of Rh(1)-B(1) bond distances ranging from 2.10-2.18 Å. B(1) is bonded to one Mo(2) and four equivalent Rh(1) atoms to form a mixture of edge and corner-sharing BMoRh4 square pyramids.