data_BaNb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNb2Rh
_chemical_formula_sum   'Ba1 Nb2 Rh1'
_cell_volume   78.99
_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  0.51  0.51  0.0  1.0
  Nb  Nb1  1  0.51  0.0  0.56  1.0
  Nb  Nb2  1  0.0  0.51  0.56  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_BaNb2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNb2Rh
_chemical_formula_sum   'Ba2 Nb4 Rh2'
_cell_volume   157.98
_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  0.01  0.5  0.0  1.0
  Nb  Nb1  4  0.26  0.26  0.56  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Ba Nb Nb Rh
Ba Nb Nb Rh 0 2 o o - 0 2 o o o 0 2 + o - 0 2 + o o 0 1 o o - 0 1 o o o 0 1 o + - 0 1 o + o 0 0 o o + 0 3 + + o 1 3 o o o 1 3 o o + 1 3 + o o 1 3 + o + 1 2 + - o 1 1 o o + 2 3 o o o 2 3 o o + 2 3 o + o 2 3 o + + 2 2 o o + 3 3 o o + 
BaNb2Rh is alpha iridium vanadium-derived structured and crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent Nb(1) atoms. There are a spread of Ba(1)-Nb(1) bond distances ranging from 2.80-3.12 Å. Nb(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ba(1) and four equivalent Rh(1) atoms. There are a spread of Nb(1)-Rh(1) bond distances ranging from 2.80-3.12 Å. Rh(1) is bonded in a 8-coordinate geometry to eight equivalent Nb(1) atoms.