data_Li2HfGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.64
_cell_angle_alpha   97.29
_cell_angle_beta   97.29
_cell_angle_gamma   34.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfGa
_chemical_formula_sum   'Li2 Hf1 Ga1'
_cell_volume   73.7
_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  0.01  0.0  0.22  1.0
  Li  Li3  1  0.79  0.0  0.37  1.0
  Hf  Hf1  1  0.66  0.0  0.03  1.0
  Ga  Ga0  1  0.15  0.0  0.77  1.0

data_Li2HfGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.8
_cell_length_c   5.64
_cell_angle_alpha   97.29
_cell_angle_beta   90.0
_cell_angle_gamma   107.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfGa
_chemical_formula_sum   'Li2 Hf1 Ga1'
_cell_volume   73.7
_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  0.21  0.63  1.0
  Li  Li1  1  0.0  0.99  0.78  1.0
  Hf  Hf2  1  0.0  0.34  0.97  1.0
  Ga  Ga3  1  0.0  0.85  0.23  1.0

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