data_ZrGaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaW2
_chemical_formula_sum   'Zr1 Ga1 W2'
_cell_volume   68.89
_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  0.52  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.65  0.0  0.11  1.0
  W  W2  1  0.65  0.0  0.94  1.0

data_ZrGaW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaW2
_chemical_formula_sum   'Zr1 Ga1 W2'
_cell_volume   68.89
_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  0.52  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.65  0.0  0.11  1.0
  W  W3  1  0.65  0.0  0.94  1.0

Zr Ga W W
Zr Ga W W 0 0 + + o 0 0 o + o 0 0 + o o 1 3 - o - 1 2 - o o 2 3 o o - 
ZrW2Ga crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 6-coordinate geometry to four equivalent Zr(1), one W(1), and one W(2) atom. All Zr(1)-Zr(1) bond lengths are 2.84 Å. The Zr(1)-W(1) bond length is 3.90 Å. The Zr(1)-W(2) bond length is 3.90 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Ga(1) atom. The W(1)-Ga(1) bond length is 1.39 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Zr(1) and one Ga(1) atom. The W(2)-Ga(1) bond length is 1.14 Å. Ga(1) is bonded in a 2-coordinate geometry to one W(1) and one W(2) atom.