data_NaTl4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl4W
_chemical_formula_sum   'Na1 Tl4 W1'
_cell_volume   173.76
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.53  0.53  0.33  1.0
  Tl  Tl2  1  0.53  0.33  0.53  1.0
  Tl  Tl3  1  0.33  0.53  0.53  1.0
  Tl  Tl4  1  0.33  0.33  0.33  1.0
  W  W5  1  0.64  0.64  0.64  1.0

data_NaTl4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   15.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaTl4W
_chemical_formula_sum   'Na3 Tl12 W3'
_cell_volume   521.27
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Tl  Tl1  9  0.14  0.07  0.54  1.0
  Tl  Tl2  3  0.0  0.0  0.67  1.0
  W  W3  3  0.0  0.0  0.36  1.0

Na Tl Tl Tl Tl W
Na Tl Tl Tl Tl W 0 1 - - o 0 1 - o o 0 1 o - o 0 5 - - o 0 5 - o - 0 5 o - - 0 2 - o - 0 2 - o o 0 2 o o - 0 4 - o o 0 4 o - o 0 4 o o - 0 3 o - - 0 3 o - o 0 3 o o - 1 2 o o o 1 3 o o o 1 4 o o o 1 5 o o o 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 
NaWTl4 crystallizes in the trigonal R3m space group. Na(1) is bonded in a distorted hexagonal planar geometry to three equivalent W(1) and three equivalent Tl(2) atoms. All Na(1)-W(1) bond lengths are 3.63 Å. All Na(1)-Tl(2) bond lengths are 3.62 Å. W(1) is bonded to three equivalent Na(1), three equivalent Tl(2), and six equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing WNa3Tl9 cuboctahedra. All W(1)-Tl(2) bond lengths are 3.63 Å. There are three shorter (2.86 Å) and three longer (3.71 Å) W(1)-Tl(1) bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 2-coordinate geometry to two equivalent W(1), one Tl(2), and two equivalent Tl(1) atoms. The Tl(1)-Tl(2) bond length is 2.22 Å. Both Tl(1)-Tl(1) bond lengths are 1.28 Å. In the second Tl site, Tl(2) is bonded in a distorted q6 geometry to three equivalent Na(1), three equivalent W(1), and three equivalent Tl(1) atoms.