data_Ti2CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   4.73
_cell_angle_alpha   113.78
_cell_angle_beta   113.78
_cell_angle_gamma   33.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CuSn
_chemical_formula_sum   'Ti2 Cu1 Sn1'
_cell_volume   68.52
_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  0.24  0.0  0.19  1.0
  Ti  Ti3  1  0.94  0.0  0.23  1.0
  Cu  Cu0  1  0.23  0.0  0.1  1.0
  Sn  Sn1  1  0.35  0.0  0.21  1.0

data_Ti2CuSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.73
_cell_length_c   5.38
_cell_angle_alpha   113.78
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CuSn
_chemical_formula_sum   'Ti2 Cu1 Sn1'
_cell_volume   68.52
_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  0.19  0.24  1.0
  Ti  Ti1  1  0.0  0.23  0.94  1.0
  Cu  Cu2  1  0.0  0.1  0.23  1.0
  Sn  Sn3  1  0.0  0.21  0.35  1.0

Ti Ti Cu Sn