data_HfZnCrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnCrGa
_chemical_formula_sum   'Hf1 Zn1 Cr1 Ga1'
_cell_volume   64.67
_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  Hf2  1  0.19  0.19  0.19  1.0
  Zn  Zn3  1  0.59  0.59  0.59  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.78  0.78  0.78  1.0

data_HfZnCrGa
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfZnCrGa
_chemical_formula_sum   'Hf3 Zn3 Cr3 Ga3'
_cell_volume   194.01
_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  0.81  1.0
  Zn  Zn1  3  0.0  0.0  0.41  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  Ga  Ga3  3  0.0  0.0  0.22  1.0

Hf Zn Cr Ga
Hf Zn Cr Ga 0 2 o o o 0 3 - - o 0 3 - o - 0 3 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o + + 1 2 + o + 1 2 + + o 1 3 o o o 2 3 - - - 
HfCrZnGa crystallizes in the trigonal R3m space group. Hf(1) is bonded in a distorted single-bond geometry to one Cr(1) and three equivalent Ga(1) atoms. The Hf(1)-Cr(1) bond length is 2.05 Å. All Hf(1)-Ga(1) bond lengths are 2.73 Å. Cr(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Ga(1) atom. The Cr(1)-Ga(1) bond length is 2.44 Å. Zn(1) is bonded in a 1-coordinate geometry to one Ga(1) atom. The Zn(1)-Ga(1) bond length is 2.05 Å. Ga(1) is bonded in a 5-coordinate geometry to three equivalent Hf(1), one Cr(1), and one Zn(1) atom.