data_Hf2AlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.34
_cell_angle_alpha   100.32
_cell_angle_beta   100.32
_cell_angle_gamma   35.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlGe
_chemical_formula_sum   'Hf2 Al1 Ge1'
_cell_volume   77.48
_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  Hf2  1  0.99  0.0  0.32  1.0
  Hf  Hf3  1  0.6  0.0  0.92  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.3  0.0  0.62  1.0

data_Hf2AlGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.04
_cell_length_c   5.34
_cell_angle_alpha   100.32
_cell_angle_beta   90.0
_cell_angle_gamma   107.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2AlGe
_chemical_formula_sum   'Hf2 Al1 Ge1'
_cell_volume   77.48
_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  0.01  0.68  1.0
  Hf  Hf1  1  0.0  0.4  0.08  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.7  0.38  1.0

Hf Hf Al Ge
Hf Hf Al Ge 0 2 + o o 0 3 + o o 1 3 o o o 1 2 + o + 