data_LiHf2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Ga
_chemical_formula_sum   'Li1 Hf2 Ga1'
_cell_volume   75.91
_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  0.11  1.0
  Hf  Hf1  1  0.0  0.0  0.43  1.0
  Hf  Hf2  1  0.58  0.58  0.95  1.0
  Ga  Ga0  1  0.58  0.58  0.42  1.0

data_LiHf2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHf2Ga
_chemical_formula_sum   'Li2 Hf4 Ga2'
_cell_volume   151.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.11  1.0
  Hf  Hf1  2  0.0  0.0  0.43  1.0
  Hf  Hf2  2  0.08  0.5  0.95  1.0
  Ga  Ga3  2  0.08  0.5  0.42  1.0

Li Hf Hf Ga
Li Hf Hf Ga 0 2 - - - 0 2 - o - 0 2 o - - 0 2 o o - 0 1 o o o 1 3 - - o 1 3 - o o 1 3 o - o 