data_ZrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrW
_chemical_formula_sum   'Zr2 W2'
_cell_volume   76.71
_cell_formula_units_Z   2
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  Zr2  1  0.39  0.0  0.41  1.0
  Zr  Zr3  1  0.0  0.39  0.53  1.0
  W  W0  1  0.39  0.0  0.13  1.0
  W  W1  1  0.0  0.39  0.81  1.0

data_ZrW
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   ZrW
_chemical_formula_sum   'Zr4 W4'
_cell_volume   153.43
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.19  0.5  0.94  1.0
  W  W1  4  0.19  0.5  0.66  1.0

Zr Zr W W
Zr Zr W W 0 1 o - o 0 1 o o o 0 1 + o o 0 2 o o o 1 3 o o o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
WZr crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two WZr clusters. Zr(1) is bonded in a 2-coordinate geometry to one Zr(1) and one W(1) atom. The Zr(1)-Zr(1) bond length is 1.93 Å. The Zr(1)-W(1) bond length is 2.79 Å. W(1) is bonded in a distorted single-bond geometry to one Zr(1) atom.