data_TlInW4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInW4
_chemical_formula_sum   'Tl1 In1 W4'
_cell_volume   114.04
_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
  Tl  Tl1  1  0.92  0.92  0.92  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.89  0.89  0.81  1.0
  W  W3  1  0.89  0.81  0.89  1.0
  W  W4  1  0.81  0.89  0.89  1.0
  W  W5  1  0.81  0.81  0.81  1.0

data_TlInW4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   13.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlInW4
_chemical_formula_sum   'Tl3 In3 W12'
_cell_volume   342.12
_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
  Tl  Tl0  3  0.0  0.0  0.08  1.0
  In  In1  3  0.0  0.0  0.0  1.0
  W  W2  9  0.05  0.03  0.14  1.0
  W  W3  3  0.0  0.0  0.19  1.0

Tl In W W W W
Tl In W W W W 0 4 o o o 0 3 o o o 0 2 o o o 0 1 + + + 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
W4TlIn crystallizes in the trigonal R3m space group. There are two inequivalent W sites. In the first W site, W(2) is bonded in a 6-coordinate geometry to three equivalent W(1) and three equivalent In(1) atoms. All W(2)-W(1) bond lengths are 0.71 Å. All W(2)-In(1) bond lengths are 3.69 Å. In the second W site, W(1) is bonded in a 4-coordinate geometry to one W(2), two equivalent W(1), and one Tl(1) atom. Both W(1)-W(1) bond lengths are 0.41 Å. The W(1)-Tl(1) bond length is 0.87 Å. Tl(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent W(1) and one In(1) atom. The Tl(1)-In(1) bond length is 1.01 Å. In(1) is bonded in a single-bond geometry to three equivalent W(2) and one Tl(1) atom.