data_Ti2InGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07
_cell_length_b   10.07
_cell_length_c   10.07
_cell_angle_alpha   17.49
_cell_angle_beta   17.49
_cell_angle_gamma   17.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InGa
_chemical_formula_sum   'Ti2 In1 Ga1'
_cell_volume   80.6
_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
  Ti  Ti2  1  0.0  0.0  0.44  1.0
  Ti  Ti3  1  0.0  0.0  0.31  1.0
  In  In1  1  0.0  0.0  0.88  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_Ti2InGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   3.06
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   100.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2InGa
_chemical_formula_sum   'Ti4 In2 Ga2'
_cell_volume   161.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.56  1.0
  Ti  Ti1  2  0.0  0.0  0.69  1.0
  In  In2  2  0.0  0.0  0.12  1.0
  Ga  Ga3  2  0.0  0.0  0.0  1.0

Ti Ti In Ga
Ti Ti In Ga 0 1 o o o 2 3 o o + 