data_NiBiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   136.95
_cell_angle_beta   136.95
_cell_angle_gamma   62.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiW2
_chemical_formula_sum   'Ni1 Bi1 W2'
_cell_volume   67.95
_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
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.52  1.0
  W  W2  1  0.94  0.0  0.26  1.0
  W  W3  1  0.0  0.94  0.26  1.0

data_NiBiW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   121.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiBiW2
_chemical_formula_sum   'Ni2 Bi2 W4'
_cell_volume   135.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.52  1.0
  W  W2  4  0.03  0.97  0.32  1.0

Ni Bi W W
W2NiBi crystallizes in the monoclinic Cm space group. W(1) is bonded in a distorted single-bond geometry to one W(1), one Ni(1), and two equivalent Bi(1) atoms. The W(1)-W(1) bond length is 0.33 Å. The W(1)-Ni(1) bond length is 1.62 Å. There is one shorter (1.15 Å) and one longer (3.40 Å) W(1)-Bi(1) bond length. Ni(1) is bonded in a 3-coordinate geometry to two equivalent W(1) and one Bi(1) atom. The Ni(1)-Bi(1) bond length is 2.55 Å. Bi(1) is bonded in a 5-coordinate geometry to four equivalent W(1) and one Ni(1) atom.