data_TlPt2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPt2W
_chemical_formula_sum   'Tl1 Pt2 W1'
_cell_volume   69.13
_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  Tl2  1  0.89  0.89  0.89  1.0
  Pt  Pt0  1  0.63  0.63  0.63  1.0
  Pt  Pt1  1  0.26  0.26  0.26  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_TlPt2W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlPt2W
_chemical_formula_sum   'Tl3 Pt6 W3'
_cell_volume   207.4
_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  0.11  1.0
  Pt  Pt1  3  0.0  0.0  0.37  1.0
  Pt  Pt2  3  0.0  0.0  0.74  1.0
  W  W3  3  0.0  0.0  -0.0  1.0

Tl Pt Pt W
WPt2Tl crystallizes in the trigonal R3m space group. W(1) is bonded in a single-bond geometry to three equivalent Pt(1), four equivalent Pt(2), and one Tl(1) atom. All W(1)-Pt(1) bond lengths are 2.69 Å. There are three shorter (2.79 Å) and one longer (2.91 Å) W(1)-Pt(2) bond length. The W(1)-Tl(1) bond length is 1.28 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 10-coordinate geometry to three equivalent W(1), three equivalent Pt(2), and four equivalent Tl(1) atoms. All Pt(1)-Pt(2) bond lengths are 2.69 Å. There are three shorter (2.79 Å) and one longer (2.91 Å) Pt(1)-Tl(1) bond length. In the second Pt site, Pt(2) is bonded in a 10-coordinate geometry to four equivalent W(1), three equivalent Pt(1), and three equivalent Tl(1) atoms. All Pt(2)-Tl(1) bond lengths are 2.69 Å. Tl(1) is bonded in a single-bond geometry to one W(1), three equivalent Pt(2), and four equivalent Pt(1) atoms.