data_HfIn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Ge
_chemical_formula_sum   'Hf1 In2 Ge1'
_cell_volume   90.2
_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  0.34  0.34  0.34  1.0
  In  In2  1  0.56  0.56  0.56  1.0
  In  In3  1  0.78  0.78  0.78  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_HfIn2Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   12.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HfIn2Ge
_chemical_formula_sum   'Hf3 In6 Ge3'
_cell_volume   270.61
_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  0.66  1.0
  In  In1  3  0.0  0.0  0.22  1.0
  In  In2  3  0.0  0.0  0.44  1.0
  Ge  Ge3  3  0.0  0.0  0.0  1.0

Hf In In Ge
HfIn2Ge crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 10-coordinate geometry to three equivalent In(2), four equivalent In(1), and three equivalent Ge(1) atoms. All Hf(1)-In(2) bond lengths are 3.19 Å. There is one shorter (2.72 Å) and three longer (3.22 Å) Hf(1)-In(1) bond lengths. All Hf(1)-Ge(1) bond lengths are 2.91 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted single-bond geometry to four equivalent Hf(1) and three equivalent Ge(1) atoms. All In(1)-Ge(1) bond lengths are 3.19 Å. In the second In site, In(2) is bonded in a 1-coordinate geometry to three equivalent Hf(1) and four equivalent Ge(1) atoms. There is one shorter (2.72 Å) and three longer (3.22 Å) In(2)-Ge(1) bond lengths. Ge(1) is bonded to three equivalent Hf(1), three equivalent In(1), and four equivalent In(2) atoms to form a mixture of distorted corner and face-sharing GeHf3In7 trigonal pyramids.