data_Hf3CrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3CrGe
_chemical_formula_sum   'Hf3 Cr1 Ge1'
_cell_volume   108.43
_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  0.0  0.38  0.0  1.0
  Hf  Hf3  1  0.0  0.0  0.38  1.0
  Hf  Hf4  1  0.38  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.38  0.38  0.38  1.0

data_Hf3CrGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf3CrGe
_chemical_formula_sum   'Hf9 Cr3 Ge3'
_cell_volume   325.28
_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  9  0.21  0.41  0.79  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  Ge  Ge2  3  0.0  0.0  0.38  1.0

Hf Hf Hf Cr Ge
Hf3CrGe is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. Hf(1) is bonded in a 1-coordinate geometry to one Cr(1) and three equivalent Ge(1) atoms. The Hf(1)-Cr(1) bond length is 1.83 Å. There is one shorter (2.59 Å) and two longer (3.46 Å) Hf(1)-Ge(1) bond lengths. Cr(1) is bonded in a distorted octahedral geometry to three equivalent Hf(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to nine equivalent Hf(1) atoms.