data_GeRh4Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeRh4Br
_chemical_formula_sum   'Ge1 Rh4 Br1'
_cell_volume   103.57
_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
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.79  0.66  0.79  1.0
  Rh  Rh3  1  0.66  0.79  0.79  1.0
  Rh  Rh4  1  0.66  0.66  0.66  1.0
  Rh  Rh5  1  0.79  0.79  0.66  1.0
  Br  Br0  1  0.86  0.86  0.86  1.0

data_GeRh4Br
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   12.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GeRh4Br
_chemical_formula_sum   'Ge3 Rh12 Br3'
_cell_volume   310.7
_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
  Ge  Ge0  3  0.0  0.0  0.0  1.0
  Rh  Rh1  9  0.09  0.04  0.25  1.0
  Rh  Rh2  3  0.0  0.0  0.34  1.0
  Br  Br3  3  0.0  0.0  0.14  1.0

Ge Rh Rh Rh Rh Br
Rh4GeBr crystallizes in the trigonal R3m space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 5-coordinate geometry to one Rh(2), two equivalent Rh(1), one Ge(1), and one Br(1) atom. The Rh(1)-Rh(2) bond length is 1.21 Å. Both Rh(1)-Rh(1) bond lengths are 0.70 Å. The Rh(1)-Ge(1) bond length is 2.85 Å. The Rh(1)-Br(1) bond length is 1.53 Å. In the second Rh site, Rh(2) is bonded in a 3-coordinate geometry to three equivalent Rh(1) atoms. Ge(1) is bonded in a single-bond geometry to three equivalent Rh(1) and one Br(1) atom. The Ge(1)-Br(1) bond length is 1.76 Å. Br(1) is bonded in a distorted single-bond geometry to three equivalent Rh(1) and one Ge(1) atom.