data_HfGaNiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaNiW
_chemical_formula_sum   'Hf1 Ga1 Ni1 W1'
_cell_volume   62.8
_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  0.58  0.58  0.58  1.0
  Ga  Ga0  1  0.15  0.15  0.15  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.73  0.73  0.73  1.0

data_HfGaNiW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfGaNiW
_chemical_formula_sum   'Hf3 Ga3 Ni3 W3'
_cell_volume   188.4
_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
  Hf  Hf0  3  0.0  0.0  0.42  1.0
  Ga  Ga1  3  0.0  0.0  0.85  1.0
  Ni  Ni2  3  0.0  0.0  0.0  1.0
  W  W3  3  0.0  0.0  0.27  1.0

Hf Ga Ni W
Hf Ga Ni W 0 3 o o o 1 2 o o o 
HfWNiGa crystallizes in the trigonal R3m space group. Hf(1) is bonded in a single-bond geometry to one W(1) and three equivalent Ga(1) atoms. The Hf(1)-W(1) bond length is 1.69 Å. All Hf(1)-Ga(1) bond lengths are 2.75 Å. W(1) is bonded in a single-bond geometry to one Hf(1) and three equivalent Ga(1) atoms. All W(1)-Ga(1) bond lengths are 2.75 Å. Ni(1) is bonded in a distorted single-bond geometry to one Ga(1) atom. The Ni(1)-Ga(1) bond length is 1.69 Å. Ga(1) is bonded in a 7-coordinate geometry to three equivalent Hf(1), three equivalent W(1), and one Ni(1) atom.