data_NbBiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBiW2
_chemical_formula_sum   'Nb1 Bi1 W2'
_cell_volume   74.24
_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  Nb1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.67  0.67  0.67  1.0
  W  W3  1  0.34  0.34  0.34  1.0

data_NbBiW2
_symmetry_space_group_name_H-M   R-3m
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   11.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   166
_chemical_formula_structural   NbBiW2
_chemical_formula_sum   'Nb3 Bi3 W6'
_cell_volume   222.71
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x-y, z'
  4  'y, -x+y, -z'
  5  '-x+y, -x, z'
  6  'x-y, x, -z'
  7  'y, x, -z'
  8  '-y, -x, z'
  9  'x-y, -y, -z'
  10  '-x+y, y, z'
  11  '-x, -x+y, -z'
  12  'x, x-y, z'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-x+1/3, -y+2/3, -z+2/3'
  15  '-y+1/3, x-y+2/3, z+2/3'
  16  'y+1/3, -x+y+2/3, -z+2/3'
  17  '-x+y+1/3, -x+2/3, z+2/3'
  18  'x-y+1/3, x+2/3, -z+2/3'
  19  'y+1/3, x+2/3, -z+2/3'
  20  '-y+1/3, -x+2/3, z+2/3'
  21  'x-y+1/3, -y+2/3, -z+2/3'
  22  '-x+y+1/3, y+2/3, z+2/3'
  23  '-x+1/3, -x+y+2/3, -z+2/3'
  24  'x+1/3, x-y+2/3, z+2/3'
  25  'x+2/3, y+1/3, z+1/3'
  26  '-x+2/3, -y+1/3, -z+1/3'
  27  '-y+2/3, x-y+1/3, z+1/3'
  28  'y+2/3, -x+y+1/3, -z+1/3'
  29  '-x+y+2/3, -x+1/3, z+1/3'
  30  'x-y+2/3, x+1/3, -z+1/3'
  31  'y+2/3, x+1/3, -z+1/3'
  32  '-y+2/3, -x+1/3, z+1/3'
  33  'x-y+2/3, -y+1/3, -z+1/3'
  34  '-x+y+2/3, y+1/3, z+1/3'
  35  '-x+2/3, -x+y+1/3, -z+1/3'
  36  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Bi  Bi1  3  -0.0  -0.0  0.0  1.0
  W  W2  6  0.0  0.0  0.33  1.0

NbW2Bi crystallizes in the trigonal R3m space group. Nb(1) is bonded in a single-bond geometry to three equivalent W(2), four equivalent W(1), and one Bi(1) atom. All Nb(1)-W(2) bond lengths are 2.72 Å. There are three shorter (2.72 Å) and one longer (3.84 Å) Nb(1)-W(1) bond length. The Nb(1)-Bi(1) bond length is 0.04 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 11-coordinate geometry to four equivalent Nb(1), four equivalent W(2), and three equivalent Bi(1) atoms. There are three shorter (2.72 Å) and one longer (3.84 Å) W(1)-W(2) bond length. All W(1)-Bi(1) bond lengths are 2.72 Å. In the second W site, W(2) is bonded in a 11-coordinate geometry to three equivalent Nb(1), four equivalent W(1), and four equivalent Bi(1) atoms. There are three shorter (2.72 Å) and one longer (3.84 Å) W(2)-Bi(1) bond length. Bi(1) is bonded in a single-bond geometry to one Nb(1), three equivalent W(1), and four equivalent W(2) atoms.