data_Ti2NbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   134.81
_cell_angle_beta   134.81
_cell_angle_gamma   65.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbGa
_chemical_formula_sum   'Ti2 Nb1 Ga1'
_cell_volume   67.1
_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  0.0  1.0
  Ti  Ti3  1  0.97  0.0  0.16  1.0
  Nb  Nb1  1  0.0  0.97  0.16  1.0
  Ga  Ga0  1  0.0  0.0  0.31  1.0

data_Ti2NbGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.13
_cell_angle_alpha   112.59
_cell_angle_beta   112.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbGa
_chemical_formula_sum   'Ti2 Nb1 Ga1'
_cell_volume   67.1
_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  Ti0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.16  0.18  0.18  1.0
  Nb  Nb2  1  0.18  0.16  0.18  1.0
  Ga  Ga3  1  0.31  0.31  0.31  1.0

Ti Ti Nb Ga