data_ZrAsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsW2
_chemical_formula_sum   'Zr1 As1 W2'
_cell_volume   70.1
_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  0.3  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.68  0.0  0.97  1.0
  W  W2  1  0.68  0.0  0.63  1.0

data_ZrAsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsW2
_chemical_formula_sum   'Zr1 As1 W2'
_cell_volume   70.1
_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  Zr0  1  0.0  0.0  0.3  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.68  0.0  0.63  1.0
  W  W3  1  0.68  0.0  0.97  1.0

Zr As W W
Zr As W W 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o - 0 3 - o o 0 3 o o o 0 1 o o o 1 2 - o - 1 3 - o - 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 
ZrW2As crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrW2As cluster. Zr(1) is bonded in a 2-coordinate geometry to one W(2) and one As(1) atom. The Zr(1)-W(2) bond length is 3.00 Å. The Zr(1)-As(1) bond length is 2.59 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted single-bond geometry to one As(1) atom. The W(1)-As(1) bond length is 0.99 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Zr(1) atom. As(1) is bonded in a distorted single-bond geometry to one Zr(1) and one W(1) atom.