data_Ti2GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   136.58
_cell_angle_beta   136.58
_cell_angle_gamma   63.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GaSn
_chemical_formula_sum   'Ti2 Ga1 Sn1'
_cell_volume   71.37
_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  0.0  0.98  0.28  1.0
  Ga  Ga0  1  0.0  0.0  0.56  1.0
  Sn  Sn1  1  0.98  0.0  0.28  1.0

data_Ti2GaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.35
_cell_angle_alpha   111.71
_cell_angle_beta   111.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GaSn
_chemical_formula_sum   'Ti2 Ga1 Sn1'
_cell_volume   71.37
_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  0.7  0.98  0.7  1.0
  Ga  Ga2  1  0.44  0.0  0.44  1.0
  Sn  Sn3  1  0.72  0.0  0.7  1.0

Ti Ti Ga Sn