data_HfNbGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbGa2
_chemical_formula_sum   'Hf1 Nb1 Ga2'
_cell_volume   73.46
_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
  Hf  Hf2  1  0.79  0.0  0.25  1.0
  Nb  Nb3  1  0.0  0.0  0.99  1.0
  Ga  Ga0  1  0.79  0.0  0.41  1.0
  Ga  Ga1  1  0.0  0.0  0.45  1.0

data_HfNbGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbGa2
_chemical_formula_sum   'Hf1 Nb1 Ga2'
_cell_volume   73.46
_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
  Hf  Hf0  1  0.79  0.0  0.25  1.0
  Nb  Nb1  1  0.0  0.0  0.99  1.0
  Ga  Ga2  1  0.0  0.0  0.45  1.0
  Ga  Ga3  1  0.79  0.0  0.41  1.0

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