data_Nb4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   95.2
_cell_angle_beta   95.2
_cell_angle_gamma   144.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4W
_chemical_formula_sum   'Nb4 W1'
_cell_volume   87.47
_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  0.49  0.39  0.0  1.0
  Nb  Nb1  1  0.73  0.17  0.63  1.0
  Nb  Nb2  1  0.17  0.27  0.63  1.0
  Nb  Nb3  1  0.93  0.49  0.0  1.0
  W  W4  1  0.0  0.0  0.0  1.0

data_Nb4W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   84.8
_cell_angle_beta   72.48
_cell_angle_gamma   72.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4W
_chemical_formula_sum   'Nb4 W1'
_cell_volume   87.47
_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  0.17  0.56  0.37  1.0
  Nb  Nb1  1  0.27  0.89  0.37  1.0
  Nb  Nb2  1  0.39  0.11  0.0  1.0
  Nb  Nb3  1  0.49  0.44  0.0  1.0
  W  W4  1  0.0  0.0  0.0  1.0

Nb Nb Nb Nb W
Nb4W crystallizes in the triclinic P1 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted bent 150 degrees geometry to one Nb(3), one Nb(4), and two equivalent W(1) atoms. The Nb(1)-Nb(3) bond length is 2.20 Å. The Nb(1)-Nb(4) bond length is 1.94 Å. There is one shorter (1.54 Å) and one longer (1.92 Å) Nb(1)-W(1) bond length. In the second Nb site, Nb(2) is bonded in a distorted water-like geometry to one Nb(3) and one Nb(4) atom. The Nb(2)-Nb(3) bond length is 1.94 Å. The Nb(2)-Nb(4) bond length is 2.01 Å. In the third Nb site, Nb(3) is bonded in a 5-coordinate geometry to one Nb(1), one Nb(2), and three equivalent W(1) atoms. There are a spread of Nb(3)-W(1) bond distances ranging from 2.37-3.34 Å. In the fourth Nb site, Nb(4) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), one Nb(2), and two equivalent W(1) atoms. There is one shorter (2.46 Å) and one longer (2.98 Å) Nb(4)-W(1) bond length. W(1) is bonded in a 2-coordinate geometry to two equivalent Nb(1), two equivalent Nb(4), and three equivalent Nb(3) atoms.