data_BiW3I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiW3I
_chemical_formula_sum   'Bi1 W3 I1'
_cell_volume   133.49
_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
  Bi  Bi1  1  0.56  0.56  0.56  1.0
  W  W2  1  0.56  0.0  0.56  1.0
  W  W3  1  0.56  0.56  0.0  1.0
  W  W4  1  0.0  0.56  0.56  1.0
  I  I0  1  0.0  0.0  0.0  1.0

data_BiW3I
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BiW3I
_chemical_formula_sum   'Bi3 W9 I3'
_cell_volume   400.48
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  '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
  Bi  Bi0  3  0.0  0.0  0.56  1.0
  W  W1  9  0.19  0.37  0.37  1.0
  I  I2  3  0.0  0.0  0.0  1.0

Bi W W W I
Bi W W W I 0 3 + o o 0 1 o + o 0 2 o o + 0 4 + + + 1 4 + o + 1 4 + o o 1 4 o o + 1 4 o o o 2 4 + + o 2 4 + o o 2 4 o + o 2 4 o o o 3 4 o + + 3 4 o + o 3 4 o o + 3 4 o o o 
W3BiI crystallizes in the trigonal R3m space group. W(1) is bonded in a 1-coordinate geometry to two equivalent Bi(1) and three equivalent I(1) atoms. There is one shorter (2.27 Å) and one longer (2.84 Å) W(1)-Bi(1) bond length. There is one shorter (3.21 Å) and two longer (3.64 Å) W(1)-I(1) bond lengths. Bi(1) is bonded to six equivalent W(1) atoms to form corner-sharing BiW6 octahedra. The corner-sharing octahedra are not tilted. I(1) is bonded in a 9-coordinate geometry to nine equivalent W(1) atoms.