data_LaHfGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   143.38
_cell_angle_beta   138.65
_cell_angle_gamma   56.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfGa2
_chemical_formula_sum   'La1 Hf1 Ga2'
_cell_volume   93.67
_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
  La  La3  1  0.0  0.0  0.01  1.0
  Hf  Hf2  1  0.95  0.0  0.17  1.0
  Ga  Ga0  1  0.0  0.19  0.25  1.0
  Ga  Ga1  1  0.0  0.0  0.52  1.0

data_LaHfGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.39
_cell_length_c   6.21
_cell_angle_alpha   110.68
_cell_angle_beta   108.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfGa2
_chemical_formula_sum   'La1 Hf1 Ga2'
_cell_volume   93.67
_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
  La  La0  1  0.99  0.99  0.99  1.0
  Hf  Hf1  1  0.78  0.83  0.78  1.0
  Ga  Ga2  1  0.48  0.48  0.48  1.0
  Ga  Ga3  1  0.75  0.95  0.95  1.0

La Hf Ga Ga
La Hf Ga Ga 0 2 o o o 1 2 + o o 1 3 + o o 