data_HfAlSnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlSnW
_chemical_formula_sum   'Hf1 Al1 Sn1 W1'
_cell_volume   74.37
_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  0.01  0.01  0.01  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.67  0.67  0.67  1.0
  W  W3  1  0.34  0.34  0.34  1.0

data_HfAlSnW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   11.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfAlSnW
_chemical_formula_sum   'Hf3 Al3 Sn3 W3'
_cell_volume   223.12
_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
  Hf  Hf0  3  0.0  0.0  0.99  1.0
  Al  Al1  3  0.0  0.0  0.0  1.0
  Sn  Sn2  3  0.0  0.0  0.33  1.0
  W  W3  3  0.0  0.0  0.66  1.0

Hf Al Sn W
Hf Al Sn W 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 2 o - - 1 2 - o - 1 2 - - o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o + 2 3 o + o 2 3 + o o 
HfWAlSn crystallizes in the trigonal R3m space group. Hf(1) is bonded in a single-bond geometry to four equivalent W(1), one Al(1), and three equivalent Sn(1) atoms. There are three shorter (2.73 Å) and one longer (3.83 Å) Hf(1)-W(1) bond length. The Hf(1)-Al(1) bond length is 0.08 Å. All Hf(1)-Sn(1) bond lengths are 2.73 Å. W(1) is bonded in a 10-coordinate geometry to four equivalent Hf(1), three equivalent Al(1), and three equivalent Sn(1) atoms. All W(1)-Al(1) bond lengths are 2.73 Å. All W(1)-Sn(1) bond lengths are 2.73 Å. Al(1) is bonded in a single-bond geometry to one Hf(1), three equivalent W(1), and three equivalent Sn(1) atoms. All Al(1)-Sn(1) bond lengths are 2.73 Å. Sn(1) is bonded in a 9-coordinate geometry to three equivalent Hf(1), three equivalent W(1), and three equivalent Al(1) atoms.