data_CoSb4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSb4W
_chemical_formula_sum   'Co1 Sb4 W1'
_cell_volume   149.22
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.26  0.26  0.16  1.0
  Sb  Sb2  1  0.26  0.16  0.26  1.0
  Sb  Sb3  1  0.16  0.26  0.26  1.0
  Sb  Sb4  1  0.16  0.16  0.16  1.0
  W  W5  1  0.31  0.31  0.31  1.0

data_CoSb4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   14.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoSb4W
_chemical_formula_sum   'Co3 Sb12 W3'
_cell_volume   447.67
_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  3  0.0  0.0  0.0  1.0
  Sb  Sb1  9  0.07  0.04  0.77  1.0
  Sb  Sb2  3  0.0  0.0  0.84  1.0
  W  W3  3  0.0  0.0  0.69  1.0

Co Sb Sb Sb Sb W
WCoSb4 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three WCoSb4 clusters. W(1) is bonded in a 3-coordinate geometry to three equivalent Sb(1) atoms. All W(1)-Sb(1) bond lengths are 1.32 Å. Co(1) is bonded in a distorted single-bond geometry to one Sb(2) atom. The Co(1)-Sb(2) bond length is 2.28 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 2-coordinate geometry to one W(1), one Sb(2), and two equivalent Sb(1) atoms. The Sb(1)-Sb(2) bond length is 1.10 Å. Both Sb(1)-Sb(1) bond lengths are 0.63 Å. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one Co(1) and three equivalent Sb(1) atoms.