data_RhWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RhWBr2
_chemical_formula_sum   'Rh1 W1 Br2'
_cell_volume   68.14
_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
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.24  0.24  0.24  1.0
  Br  Br0  1  0.86  0.86  0.86  1.0
  Br  Br1  1  0.62  0.62  0.62  1.0

data_RhWBr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   11.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RhWBr2
_chemical_formula_sum   'Rh3 W3 Br6'
_cell_volume   204.41
_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
  Rh  Rh0  3  0.0  0.0  0.0  1.0
  W  W1  3  0.0  0.0  0.76  1.0
  Br  Br2  3  0.0  0.0  0.14  1.0
  Br  Br3  3  0.0  0.0  0.38  1.0

Rh W Br Br
Rh W Br Br 0 2 - - - 0 1 o o o 0 1 o o - 0 1 - o o 0 1 o - o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 - - o 1 2 - o - 1 2 o - - 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o + o 2 3 + o o 2 3 o o + 2 3 o o o 
WRhBr2 crystallizes in the trigonal R3m space group. W(1) is bonded in a 10-coordinate geometry to four equivalent Rh(1), three equivalent Br(1), and three equivalent Br(2) atoms. There is one shorter (2.71 Å) and three longer (2.84 Å) W(1)-Rh(1) bond lengths. All W(1)-Br(1) bond lengths are 2.70 Å. All W(1)-Br(2) bond lengths are 2.70 Å. Rh(1) is bonded in a single-bond geometry to four equivalent W(1), one Br(1), and three equivalent Br(2) atoms. The Rh(1)-Br(1) bond length is 1.54 Å. All Rh(1)-Br(2) bond lengths are 2.70 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to three equivalent W(1) and one Rh(1) atom. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to three equivalent W(1) and three equivalent Rh(1) atoms.