data_YBRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBRh2
_chemical_formula_sum   'Y1 B1 Rh2'
_cell_volume   63.61
_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
  Y  Y3  1  0.57  0.57  0.14  1.0
  B  B0  1  0.0  0.0  0.68  1.0
  Rh  Rh1  1  0.57  0.57  0.85  1.0
  Rh  Rh2  1  0.0  0.0  0.38  1.0

data_YBRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBRh2
_chemical_formula_sum   'Y2 B2 Rh4'
_cell_volume   127.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.07  0.5  0.14  1.0
  B  B1  2  0.0  0.0  0.68  1.0
  Rh  Rh2  2  0.0  0.0  0.38  1.0
  Rh  Rh3  2  0.07  0.5  0.85  1.0

Y B Rh Rh
Y B Rh Rh 0 2 o o - 1 2 - - o 1 3 o o o 
YRh2B crystallizes in the monoclinic Cm space group. Y(1) is bonded in a 5-coordinate geometry to one Rh(1) and four equivalent Rh(2) atoms. The Y(1)-Rh(1) bond length is 1.87 Å. There are a spread of Y(1)-Rh(2) bond distances ranging from 2.44-2.98 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 1-coordinate geometry to one Y(1) and four equivalent B(1) atoms. There are a spread of Rh(1)-B(1) bond distances ranging from 2.19-2.78 Å. In the second Rh site, Rh(2) is bonded in a 5-coordinate geometry to four equivalent Y(1) and one B(1) atom. The Rh(2)-B(1) bond length is 1.92 Å. B(1) is bonded in a 5-coordinate geometry to one Rh(2) and four equivalent Rh(1) atoms.