data_Co4RhW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4RhW
_chemical_formula_sum   'Co4 Rh1 W1'
_cell_volume   72.24
_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
  Co  Co0  1  0.13  0.48  0.13  1.0
  Co  Co1  1  0.48  0.13  0.13  1.0
  Co  Co2  1  0.48  0.48  0.48  1.0
  Co  Co3  1  0.13  0.13  0.48  1.0
  Rh  Rh4  1  0.0  0.0  0.0  1.0
  W  W5  1  0.96  0.96  0.96  1.0

data_Co4RhW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Co4RhW
_chemical_formula_sum   'Co12 Rh3 W3'
_cell_volume   216.73
_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
  Co  Co0  9  0.1  0.55  0.42  1.0
  Co  Co1  3  0.0  0.0  0.52  1.0
  Rh  Rh2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.04  1.0

Co Co Co Co Rh W
Co Co Co Co Rh W 0 3 o o o 0 5 - o - 0 1 o o o 0 2 o o o 0 2 o o - 0 2 - o o 1 3 o o o 1 5 o - - 1 2 o o o 1 2 o o - 1 2 o - o 2 3 o o o 2 3 o + o 2 3 + o o 2 4 o o + 2 4 o + o 2 4 + o o 2 5 - o o 2 5 o - o 2 5 o o - 3 5 - - o 4 5 - - - 
WRhCo4 crystallizes in the trigonal R3m space group. W(1) is bonded in a single-bond geometry to one Rh(1) and three equivalent Co(1) atoms. The W(1)-Rh(1) bond length is 0.48 Å. All W(1)-Co(1) bond lengths are 1.84 Å. Rh(1) is bonded in a single-bond geometry to one W(1) and three equivalent Co(2) atoms. All Rh(1)-Co(2) bond lengths are 3.16 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to one W(1), two equivalent Co(1), and three equivalent Co(2) atoms. Both Co(1)-Co(1) bond lengths are 1.60 Å. There are two shorter (2.66 Å) and one longer (2.78 Å) Co(1)-Co(2) bond length. In the second Co site, Co(2) is bonded in a 12-coordinate geometry to three equivalent Rh(1) and nine equivalent Co(1) atoms.