data_Ti2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   155.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Ga
_chemical_formula_sum   'Ti4 Ga2'
_cell_volume   97.92
_cell_formula_units_Z   2
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
  Ti  Ti2  1  0.51  0.91  0.45  1.0
  Ti  Ti3  1  0.51  0.29  0.45  1.0
  Ti  Ti4  1  0.51  0.71  0.15  1.0
  Ti  Ti5  1  0.51  0.09  0.15  1.0
  Ga  Ga0  1  0.51  0.51  0.45  1.0
  Ga  Ga1  1  0.51  0.49  0.15  1.0

data_Ti2Ga
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.02
_cell_length_b   4.6
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   102.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ti2Ga
_chemical_formula_sum   'Ti4 Ga2'
_cell_volume   97.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ti  Ti0  2  0.09  0.65  0.09  1.0
  Ti  Ti1  2  0.29  0.35  0.29  1.0
  Ga  Ga2  2  0.49  0.65  0.49  1.0

Ti Ti Ti Ti Ga Ga