data_ZrSbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbW2
_chemical_formula_sum   'Zr1 Sb1 W2'
_cell_volume   78.84
_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
  Zr  Zr3  1  0.0  0.0  0.55  1.0
  Sb  Sb0  1  0.61  0.61  0.99  1.0
  W  W1  1  0.0  0.0  0.21  1.0
  W  W2  1  0.61  0.61  0.66  1.0

data_ZrSbW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSbW2
_chemical_formula_sum   'Zr2 Sb2 W4'
_cell_volume   157.68
_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
  Zr  Zr0  2  0.0  0.0  0.55  1.0
  Sb  Sb1  2  0.11  0.5  0.99  1.0
  W  W2  2  0.0  0.0  0.21  1.0
  W  W3  2  0.11  0.5  0.66  1.0

Zr Sb W W
ZrW2Sb crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a 5-coordinate geometry to one W(1) and four equivalent W(2) atoms. The Zr(1)-W(1) bond length is 2.57 Å. There are a spread of Zr(1)-W(2) bond distances ranging from 1.97-2.91 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Sb(1) atom. The W(1)-Sb(1) bond length is 2.45 Å. In the second W site, W(2) is bonded in a 5-coordinate geometry to four equivalent Zr(1) and one Sb(1) atom. The W(2)-Sb(1) bond length is 2.48 Å. Sb(1) is bonded in a 2-coordinate geometry to one W(1) and one W(2) atom.