data_NbSi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   138.28
_cell_angle_beta   122.0
_cell_angle_gamma   73.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2W
_chemical_formula_sum   'Nb1 Si2 W1'
_cell_volume   60.8
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.32  0.89  1.0
  Si  Si2  1  0.71  0.0  0.94  1.0
  W  W3  1  0.0  0.0  0.83  1.0

data_NbSi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.65
_cell_length_c   4.79
_cell_angle_alpha   119.0
_cell_angle_beta   110.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2W
_chemical_formula_sum   'Nb1 Si2 W1'
_cell_volume   60.8
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.11  0.43  0.43  1.0
  Si  Si2  1  0.77  0.06  0.77  1.0
  W  W3  1  0.17  0.17  0.17  1.0

Nb Si Si W
Nb Si Si W 0 3 o o - 0 2 - o - 1 3 o o o 
W(Nb)Si2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one W(Nb)Si2 cluster. Nb(1) is bonded in a distorted water-like geometry to one W(1) and one Si(2) atom. The Nb(1)-W(1) bond length is 0.82 Å. The Nb(1)-Si(2) bond length is 1.27 Å. W(1) is bonded in a distorted bent 120 degrees geometry to one Nb(1) and one Si(1) atom. The W(1)-Si(1) bond length is 1.35 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one W(1) atom. In the second Si site, Si(2) is bonded in a single-bond geometry to one Nb(1) atom.