data_SiSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   9.92
_cell_angle_alpha   18.48
_cell_angle_beta   18.48
_cell_angle_gamma   18.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSb2W
_chemical_formula_sum   'Si1 Sb2 W1'
_cell_volume   85.71
_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
  Si  Si2  1  0.0  0.0  0.24  1.0
  Sb  Sb0  1  0.0  0.0  0.55  1.0
  Sb  Sb1  1  0.0  0.0  0.87  1.0
  W  W3  1  0.0  0.0  0.22  1.0

data_SiSb2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   3.19
_cell_length_c   9.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiSb2W
_chemical_formula_sum   'Si2 Sb4 W2'
_cell_volume   171.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.0  0.0  0.76  1.0
  Sb  Sb1  2  0.0  0.0  0.13  1.0
  Sb  Sb2  2  0.0  0.0  0.45  1.0
  W  W3  2  0.0  0.0  0.78  1.0

Si Sb Sb W
Si Sb Sb W 0 3 o o o 0 1 o o o 0 2 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o + 
WSiSb2 crystallizes in the monoclinic Cm space group. W(1) is bonded in a single-bond geometry to one Si(1) and one Sb(2) atom. The W(1)-Si(1) bond length is 0.14 Å. The W(1)-Sb(2) bond length is 3.50 Å. Si(1) is bonded in a single-bond geometry to one W(1) and one Sb(1) atom. The Si(1)-Sb(1) bond length is 3.14 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Si(1), one Sb(2), and six equivalent Sb(1) atoms to form distorted SbSiSb7 hexagonal bipyramids that share corners with six equivalent Sb(1)SiSb7 hexagonal bipyramids, edges with six equivalent Sb(2)Sb7W hexagonal bipyramids, and edges with twelve equivalent Sb(1)SiSb7 hexagonal bipyramids. The Sb(1)-Sb(2) bond length is 3.14 Å. All Sb(1)-Sb(1) bond lengths are 3.19 Å. In the second Sb site, Sb(2) is bonded to one W(1), one Sb(1), and six equivalent Sb(2) atoms to form SbSb7W hexagonal bipyramids that share corners with six equivalent Sb(2)Sb7W hexagonal bipyramids, edges with six equivalent Sb(1)SiSb7 hexagonal bipyramids, and edges with twelve equivalent Sb(2)Sb7W hexagonal bipyramids. All Sb(2)-Sb(2) bond lengths are 3.19 Å.