data_InWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InWBr2
_chemical_formula_sum   'In1 W1 Br2'
_cell_volume   100.87
_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
  In  In2  1  0.69  0.69  0.69  1.0
  W  W3  1  0.85  0.85  0.85  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.54  0.54  0.54  1.0

data_InWBr2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InWBr2
_chemical_formula_sum   'In3 W3 Br6'
_cell_volume   302.61
_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
  In  In0  3  0.0  0.0  0.31  1.0
  W  W1  3  0.0  0.0  0.15  1.0
  Br  Br2  3  0.0  0.0  0.0  1.0
  Br  Br3  3  0.0  0.0  0.46  1.0

In W Br Br
WInBr2 crystallizes in the trigonal R3m space group. W(1) is bonded in a distorted linear geometry to one In(1) and one Br(1) atom. The W(1)-In(1) bond length is 1.95 Å. The W(1)-Br(1) bond length is 1.95 Å. In(1) is bonded in a distorted linear geometry to one W(1), one Br(2), and three equivalent Br(1) atoms. The In(1)-Br(2) bond length is 1.95 Å. All In(1)-Br(1) bond lengths are 3.04 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to one W(1) and three equivalent In(1) atoms to form distorted corner-sharing BrIn3W trigonal pyramids. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one In(1) atom.