data_HfTlGaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlGaW
_chemical_formula_sum   'Hf1 Tl1 Ga1 W1'
_cell_volume   77.65
_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
  Hf  Hf1  1  0.39  0.39  0.39  1.0
  Tl  Tl2  1  0.08  0.08  0.08  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.69  0.69  0.69  1.0

data_HfTlGaW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   11.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfTlGaW
_chemical_formula_sum   'Hf3 Tl3 Ga3 W3'
_cell_volume   232.94
_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
  Hf  Hf0  3  0.0  0.0  0.61  1.0
  Tl  Tl1  3  0.0  0.0  0.92  1.0
  Ga  Ga2  3  0.0  0.0  -0.0  1.0
  W  W3  3  0.0  0.0  0.31  1.0

Hf Tl Ga W
HfWTlGa crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 11-coordinate geometry to four equivalent W(1), four equivalent Tl(1), and three equivalent Ga(1) atoms. There are three shorter (2.78 Å) and one longer (3.60 Å) Hf(1)-W(1) bond length. There are three shorter (2.78 Å) and one longer (3.60 Å) Hf(1)-Tl(1) bond length. All Hf(1)-Ga(1) bond lengths are 2.83 Å. W(1) is bonded in a 10-coordinate geometry to four equivalent Hf(1), three equivalent Tl(1), and three equivalent Ga(1) atoms. All W(1)-Tl(1) bond lengths are 2.83 Å. All W(1)-Ga(1) bond lengths are 2.78 Å. Tl(1) is bonded in a single-bond geometry to four equivalent Hf(1), three equivalent W(1), and one Ga(1) atom. The Tl(1)-Ga(1) bond length is 0.93 Å. Ga(1) is bonded in a single-bond geometry to three equivalent Hf(1), three equivalent W(1), and one Tl(1) atom.