data_Hf2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.8
_cell_length_b   8.8
_cell_length_c   8.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Ge
_chemical_formula_sum   'Hf16 Ge8'
_cell_volume   482.28
_cell_formula_units_Z   8
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  Hf8  1  0.67  0.56  0.67  1.0
  Hf  Hf9  1  0.56  0.56  0.56  1.0
  Hf  Hf10  1  0.56  0.67  0.67  1.0
  Hf  Hf11  1  0.67  0.67  0.56  1.0
  Hf  Hf12  1  0.34  0.81  0.34  1.0
  Hf  Hf13  1  0.34  0.34  0.86  1.0
  Hf  Hf14  1  0.81  0.34  0.34  1.0
  Hf  Hf15  1  0.86  0.34  0.34  1.0
  Hf  Hf16  1  0.34  0.34  0.81  1.0
  Hf  Hf17  1  0.34  0.86  0.34  1.0
  Hf  Hf18  1  0.22  0.75  0.22  1.0
  Hf  Hf19  1  0.22  0.22  0.7  1.0
  Hf  Hf20  1  0.75  0.22  0.22  1.0
  Hf  Hf21  1  0.7  0.22  0.22  1.0
  Hf  Hf22  1  0.22  0.22  0.75  1.0
  Hf  Hf23  1  0.22  0.7  0.22  1.0
  Ge  Ge0  1  0.12  0.12  0.33  1.0
  Ge  Ge1  1  0.33  0.12  0.12  1.0
  Ge  Ge2  1  0.33  0.33  0.33  1.0
  Ge  Ge3  1  0.12  0.33  0.12  1.0
  Ge  Ge4  1  0.44  0.44  0.23  1.0
  Ge  Ge5  1  0.23  0.44  0.44  1.0
  Ge  Ge6  1  0.23  0.23  0.23  1.0
  Ge  Ge7  1  0.44  0.23  0.44  1.0

data_Hf2Ge
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.8
_cell_length_b   8.8
_cell_length_c   21.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf2Ge
_chemical_formula_sum   'Hf48 Ge24'
_cell_volume   1446.85
_cell_formula_units_Z   24
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  0.02  0.51  0.28  1.0
  Hf  Hf1  9  0.02  0.51  0.17  1.0
  Hf  Hf2  9  0.07  0.04  0.37  1.0
  Hf  Hf3  9  0.18  0.82  0.49  1.0
  Hf  Hf4  9  0.18  0.35  0.6  1.0
  Hf  Hf5  3  0.0  0.0  0.44  1.0
  Ge  Ge6  9  0.07  0.14  0.81  1.0
  Ge  Ge7  9  0.14  0.07  0.63  1.0
  Ge  Ge8  3  0.0  0.0  0.67  1.0
  Ge  Ge9  3  0.0  0.0  0.77  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Ge Ge Ge Ge Ge Ge Ge Ge