data_TiSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   4.92
_cell_angle_alpha   105.68
_cell_angle_beta   105.68
_cell_angle_gamma   33.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Pd
_chemical_formula_sum   'Ti1 Sn2 Pd1'
_cell_volume   78.17
_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  0.42  0.0  0.68  1.0
  Sn  Sn1  1  0.97  0.0  0.32  1.0
  Sn  Sn2  1  0.59  0.0  0.19  1.0
  Pd  Pd0  1  0.71  0.0  0.89  1.0

data_TiSn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.92
_cell_length_c   5.49
_cell_angle_alpha   105.68
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Pd
_chemical_formula_sum   'Ti1 Sn2 Pd1'
_cell_volume   78.17
_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  0.68  0.42  1.0
  Sn  Sn1  1  0.0  0.19  0.59  1.0
  Sn  Sn2  1  0.0  0.32  0.97  1.0
  Pd  Pd3  1  0.0  0.89  0.71  1.0

Ti Sn Sn Pd