data_ZrFe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   4.15
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2W
_chemical_formula_sum   'Zr1 Fe2 W1'
_cell_volume   60.69
_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  0.65  0.07  0.0  1.0
  Fe  Fe0  1  0.65  0.0  0.22  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.07  0.22  1.0

data_ZrFe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.15
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFe2W
_chemical_formula_sum   'Zr1 Fe2 W1'
_cell_volume   60.69
_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  0.65  0.07  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.65  0.0  0.22  1.0
  W  W3  1  -0.0  0.07  0.22  1.0

Zr Fe Fe W
Zr Fe Fe W 0 2 + o o 0 1 o o o 1 3 + o o 2 3 o o o 
ZrWFe2 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrWFe2 cluster. Zr(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Fe(2) atom. The Zr(1)-Fe(1) bond length is 1.01 Å. The Zr(1)-Fe(2) bond length is 1.19 Å. W(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Fe(2) atom. The W(1)-Fe(1) bond length is 1.19 Å. The W(1)-Fe(2) bond length is 1.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Zr(1) and one W(1) atom. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to one Zr(1) and one W(1) atom.