data_LiHf2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.98
_cell_angle_alpha   108.57
_cell_angle_beta   108.57
_cell_angle_gamma   32.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Ge
_chemical_formula_sum   'Li1 Hf2 Ge1'
_cell_volume   79.58
_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  Li3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.94  0.0  0.27  1.0
  Hf  Hf2  1  0.24  0.0  0.43  1.0
  Ge  Ge0  1  0.59  0.0  0.35  1.0

data_LiHf2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.98
_cell_length_c   5.64
_cell_angle_alpha   108.57
_cell_angle_beta   106.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Ge
_chemical_formula_sum   'Li1 Hf2 Ge1'
_cell_volume   79.58
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.27  0.94  1.0
  Hf  Hf2  1  0.0  0.43  0.24  1.0
  Ge  Ge3  1  0.0  0.35  0.59  1.0

Li Hf Hf Ge