data_Ba2GaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2GaRh
_chemical_formula_sum   'Ba2 Ga1 Rh1'
_cell_volume   108.59
_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  0.79  0.79  0.79  1.0
  Ba  Ba1  1  0.68  0.68  0.68  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.89  0.89  0.89  1.0

data_Ba2GaRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   13.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ba2GaRh
_chemical_formula_sum   'Ba6 Ga3 Rh3'
_cell_volume   325.77
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.21  1.0
  Ba  Ba1  3  0.0  0.0  0.32  1.0
  Ga  Ga2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.11  1.0

Ba Ba Ga Rh
Ba2RhGa crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted single-bond geometry to one Ba(2) and one Rh(1) atom. The Ba(1)-Ba(2) bond length is 1.40 Å. The Ba(1)-Rh(1) bond length is 1.40 Å. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one Ba(1), three equivalent Rh(1), and three equivalent Ga(1) atoms. All Ba(2)-Rh(1) bond lengths are 3.47 Å. All Ba(2)-Ga(1) bond lengths are 3.10 Å. Rh(1) is bonded in a linear geometry to one Ba(1), three equivalent Ba(2), and one Ga(1) atom. The Rh(1)-Ga(1) bond length is 1.40 Å. Ga(1) is bonded in a single-bond geometry to three equivalent Ba(2) and one Rh(1) atom.