data_Hf2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.63
_cell_angle_alpha   92.04
_cell_angle_beta   92.04
_cell_angle_gamma   33.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SiGe
_chemical_formula_sum   'Hf2 Si1 Ge1'
_cell_volume   72.48
_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  0.14  0.0  0.53  1.0
  Hf  Hf2  1  0.36  0.0  0.94  1.0
  Si  Si3  1  0.66  0.0  0.84  1.0
  Ge  Ge0  1  0.83  0.0  0.64  1.0

data_Hf2SiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.63
_cell_length_c   5.31
_cell_angle_alpha   92.04
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2SiGe
_chemical_formula_sum   'Hf2 Si1 Ge1'
_cell_volume   72.48
_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  Hf0  1  0.0  0.53  0.14  1.0
  Hf  Hf1  1  0.0  0.94  0.36  1.0
  Si  Si2  1  0.0  0.84  0.66  1.0
  Ge  Ge3  1  0.0  0.64  0.83  1.0

Hf Hf Si Ge
Hf Hf Si Ge 0 3 - o o 1 2 o o o 2 3 o o o 