data_Hf2BeGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   138.17
_cell_angle_beta   138.17
_cell_angle_gamma   60.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeGe
_chemical_formula_sum   'Hf2 Be1 Ge1'
_cell_volume   69.28
_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  0.66  1.0
  Hf  Hf3  1  0.0  0.93  0.33  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.93  0.0  0.33  1.0

data_Hf2BeGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   5.4
_cell_angle_alpha   110.92
_cell_angle_beta   110.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BeGe
_chemical_formula_sum   'Hf2 Be1 Ge1'
_cell_volume   69.28
_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  0.34  0.0  0.34  1.0
  Hf  Hf1  1  0.6  0.93  0.6  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.67  0.0  0.6  1.0

Hf Hf Be Ge