data_HfTi2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.69
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Ga
_chemical_formula_sum   'Hf1 Ti2 Ga1'
_cell_volume   70.82
_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  Hf1  1  0.0  0.0  0.14  1.0
  Ti  Ti2  1  0.53  0.85  0.85  1.0
  Ti  Ti3  1  0.53  0.85  0.44  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_HfTi2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.69
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Ga
_chemical_formula_sum   'Hf1 Ti2 Ga1'
_cell_volume   70.82
_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  0.0  0.0  0.14  1.0
  Ti  Ti1  1  0.53  0.85  0.44  1.0
  Ti  Ti2  1  0.53  0.85  0.85  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

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