data_TiCu2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   122.71
_cell_angle_beta   122.71
_cell_angle_gamma   85.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Sn
_chemical_formula_sum   'Ti1 Cu2 Sn1'
_cell_volume   61.66
_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
  Cu  Cu0  1  0.16  0.0  0.65  1.0
  Cu  Cu1  1  0.0  0.0  0.31  1.0
  Sn  Sn2  1  0.0  0.16  0.65  1.0

data_TiCu2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.5
_cell_angle_alpha   118.65
_cell_angle_beta   118.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2Sn
_chemical_formula_sum   'Ti1 Cu2 Sn1'
_cell_volume   61.66
_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
  Cu  Cu1  1  0.35  0.0  0.5  1.0
  Cu  Cu2  1  0.69  0.0  0.69  1.0
  Sn  Sn3  1  0.5  0.16  0.5  1.0

Ti Cu Cu Sn