data_TiInGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.4
_cell_length_b   9.4
_cell_length_c   9.4
_cell_angle_alpha   18.99
_cell_angle_beta   18.99
_cell_angle_gamma   18.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInGa2
_chemical_formula_sum   'Ti1 In1 Ga2'
_cell_volume   76.83
_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  Ti3  1  0.0  0.0  0.0  1.0
  In  In2  1  0.0  0.0  0.84  1.0
  Ga  Ga0  1  0.0  0.0  0.57  1.0
  Ga  Ga1  1  0.0  0.0  0.11  1.0

data_TiInGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   3.1
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   100.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiInGa2
_chemical_formula_sum   'Ti2 In2 Ga4'
_cell_volume   153.66
_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  0.0  1.0
  In  In1  2  0.0  0.0  0.16  1.0
  Ga  Ga2  2  0.0  0.0  0.43  1.0
  Ga  Ga3  2  0.0  0.0  0.89  1.0

Ti In Ga Ga