data_Hf2FeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   38.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeGe
_chemical_formula_sum   'Hf2 Fe1 Ge1'
_cell_volume   69.02
_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  0.0  0.33  1.0
  Hf  Hf3  1  0.97  0.0  0.4  1.0
  Fe  Fe0  1  0.0  0.0  0.94  1.0
  Ge  Ge1  1  0.97  0.0  0.57  1.0

data_Hf2FeGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.93
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeGe
_chemical_formula_sum   'Hf2 Fe1 Ge1'
_cell_volume   69.02
_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  0.6  0.97  0.6  1.0
  Hf  Hf1  1  0.67  0.0  0.67  1.0
  Fe  Fe2  1  0.06  0.0  0.06  1.0
  Ge  Ge3  1  0.43  0.97  0.43  1.0

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