data_TiSn2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   5.79
_cell_angle_alpha   103.47
_cell_angle_beta   103.47
_cell_angle_gamma   37.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Pd
_chemical_formula_sum   'Ti1 Sn2 Pd1'
_cell_volume   79.99
_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
  Sn  Sn1  1  0.55  0.0  0.43  1.0
  Sn  Sn2  1  0.14  0.0  0.18  1.0
  Pd  Pd0  1  0.85  0.0  0.8  1.0

data_TiSn2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.82
_cell_length_c   5.79
_cell_angle_alpha   103.47
_cell_angle_beta   90.0
_cell_angle_gamma   108.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Pd
_chemical_formula_sum   'Ti1 Sn2 Pd1'
_cell_volume   79.99
_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
  Sn  Sn1  1  0.0  0.45  0.57  1.0
  Sn  Sn2  1  0.0  0.86  0.82  1.0
  Pd  Pd3  1  0.0  0.15  0.2  1.0

Ti Sn Sn Pd