data_TlRu4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRu4W
_chemical_formula_sum   'Tl1 Ru4 W1'
_cell_volume   96.08
_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  Tl4  1  0.45  0.45  0.45  1.0
  Ru  Ru0  1  0.54  0.54  0.73  1.0
  Ru  Ru1  1  0.54  0.73  0.54  1.0
  Ru  Ru2  1  0.73  0.54  0.54  1.0
  Ru  Ru3  1  0.73  0.73  0.73  1.0
  W  W5  1  0.0  0.0  0.0  1.0

data_TlRu4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlRu4W
_chemical_formula_sum   'Tl3 Ru12 W3'
_cell_volume   288.24
_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  0.55  1.0
  Ru  Ru1  9  0.06  0.12  0.4  1.0
  Ru  Ru2  3  0.0  0.0  0.27  1.0
  W  W3  3  0.0  0.0  0.0  1.0

Tl Ru Ru Ru Ru W
WRu4Tl crystallizes in the trigonal R3m space group. W(1) is bonded in a 13-coordinate geometry to four equivalent Ru(2), six equivalent Ru(1), and three equivalent Tl(1) atoms. There are three shorter (3.06 Å) and one longer (3.44 Å) W(1)-Ru(2) bond length. All W(1)-Ru(1) bond lengths are 2.85 Å. All W(1)-Tl(1) bond lengths are 3.33 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 2-coordinate geometry to two equivalent W(1), one Ru(2), two equivalent Ru(1), and two equivalent Tl(1) atoms. The Ru(1)-Ru(2) bond length is 1.64 Å. Both Ru(1)-Ru(1) bond lengths are 0.94 Å. There is one shorter (1.99 Å) and one longer (3.33 Å) Ru(1)-Tl(1) bond length. In the second Ru site, Ru(2) is bonded in a 10-coordinate geometry to four equivalent W(1), three equivalent Ru(1), and three equivalent Tl(1) atoms. All Ru(2)-Tl(1) bond lengths are 3.06 Å. Tl(1) is bonded in a 12-coordinate geometry to three equivalent W(1), three equivalent Ru(2), and six equivalent Ru(1) atoms.