data_BaBiRh4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBiRh4
_chemical_formula_sum   'Ba1 Bi1 Rh4'
_cell_volume   118.21
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.95  0.95  0.95  1.0
  Rh  Rh2  1  0.93  0.93  0.86  1.0
  Rh  Rh3  1  0.93  0.86  0.93  1.0
  Rh  Rh4  1  0.86  0.93  0.93  1.0
  Rh  Rh5  1  0.86  0.86  0.86  1.0

data_BaBiRh4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   13.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaBiRh4
_chemical_formula_sum   'Ba3 Bi3 Rh12'
_cell_volume   354.62
_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  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.05  1.0
  Rh  Rh2  9  0.05  0.02  0.09  1.0
  Rh  Rh3  3  0.0  0.0  0.14  1.0

Ba Bi Rh Rh Rh Rh
Ba Bi Rh Rh Rh Rh 0 1 - - - 1 4 o o o 1 3 o o o 1 2 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
BaRh4Bi crystallizes in the trigonal R3m space group. Ba(1) is bonded in a single-bond geometry to three equivalent Rh(2) and one Bi(1) atom. All Ba(1)-Rh(2) bond lengths are 4.10 Å. The Ba(1)-Bi(1) bond length is 0.71 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded in a 6-coordinate geometry to three equivalent Ba(1) and three equivalent Rh(1) atoms. All Rh(2)-Rh(1) bond lengths are 0.71 Å. In the second Rh site, Rh(1) is bonded in a 3-coordinate geometry to one Rh(2), two equivalent Rh(1), and one Bi(1) atom. Both Rh(1)-Rh(1) bond lengths are 0.41 Å. The Rh(1)-Bi(1) bond length is 0.59 Å. Bi(1) is bonded in a distorted single-bond geometry to one Ba(1) and three equivalent Rh(1) atoms.