data_LiHfGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   149.23
_cell_angle_beta   138.86
_cell_angle_gamma   52.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfGe
_chemical_formula_sum   'Li1 Hf1 Ge1'
_cell_volume   52.42
_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
  Li  Li2  1  0.0  0.0  0.49  1.0
  Hf  Hf1  1  0.0  0.0  0.35  1.0
  Ge  Ge0  1  0.0  0.0  0.52  1.0

data_LiHfGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.79
_cell_length_c   5.39
_cell_angle_alpha   110.57
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfGe
_chemical_formula_sum   'Li1 Hf1 Ge1'
_cell_volume   52.42
_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
  Li  Li0  1  0.0  0.49  0.49  1.0
  Hf  Hf1  1  0.0  0.35  0.35  1.0
  Ge  Ge2  1  0.0  0.52  0.52  1.0

Li Hf Ge