data_BaY2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaY2Rh
_chemical_formula_sum   'Ba1 Y2 Rh1'
_cell_volume   134.04
_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
  Ba  Ba0  1  0.96  0.96  0.65  1.0
  Y  Y2  1  0.96  0.96  0.13  1.0
  Y  Y3  1  0.0  0.0  0.58  1.0
  Rh  Rh1  1  0.0  0.0  0.55  1.0

data_BaY2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaY2Rh
_chemical_formula_sum   'Ba2 Y4 Rh2'
_cell_volume   268.09
_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
  Ba  Ba0  2  0.46  0.5  0.65  1.0
  Y  Y1  2  0.0  0.0  0.58  1.0
  Y  Y2  2  0.46  0.5  0.13  1.0
  Rh  Rh3  2  0.0  0.0  0.55  1.0

Ba Y Y Rh
Ba Y Y Rh 0 2 + + o 0 1 o o + 0 1 o o o 1 1 + o o 1 1 o + o 1 3 + + o 1 2 + + o 2 3 o o o 
BaY2Rh crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a single-bond geometry to one Y(1) and one Y(2) atom. The Ba(1)-Y(1) bond length is 4.22 Å. The Ba(1)-Y(2) bond length is 0.68 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one Ba(1), four equivalent Y(1), and one Rh(1) atom to form a mixture of distorted corner and edge-sharing YBaY4Rh octahedra. The corner-sharing octahedra are not tilted. All Y(1)-Y(1) bond lengths are 3.91 Å. The Y(1)-Rh(1) bond length is 3.71 Å. In the second Y site, Y(2) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Rh(1) atom. The Y(2)-Rh(1) bond length is 0.21 Å. Rh(1) is bonded in a single-bond geometry to one Y(1) and one Y(2) atom.