data_TiGa2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.81
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   91.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2Sn
_chemical_formula_sum   'Ti1 Ga2 Sn1'
_cell_volume   75.54
_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  0.52  0.0  0.36  1.0
  Ga  Ga0  1  0.82  0.41  0.14  1.0
  Ga  Ga1  1  0.77  0.0  0.2  1.0
  Sn  Sn2  1  0.93  0.41  0.45  1.0

data_TiGa2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.81
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   91.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2Sn
_chemical_formula_sum   'Ti1 Ga2 Sn1'
_cell_volume   75.54
_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  0.52  0.0  0.36  1.0
  Ga  Ga1  1  0.77  0.0  0.2  1.0
  Ga  Ga2  1  0.82  0.41  0.14  1.0
  Sn  Sn3  1  0.93  0.41  0.45  1.0

Ti Ga Ga Sn
Ti Ga Ga Sn 0 2 o o o 1 2 o o o 1 3 o o o 