data_TiNiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.5
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiPd2
_chemical_formula_sum   'Ti1 Ni1 Pd2'
_cell_volume   57.71
_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  0.92  1.0
  Ni  Ni0  1  0.48  0.75  0.12  1.0
  Pd  Pd1  1  0.0  0.0  0.46  1.0
  Pd  Pd2  1  0.48  0.75  0.47  1.0

data_TiNiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.5
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiPd2
_chemical_formula_sum   'Ti1 Ni1 Pd2'
_cell_volume   57.71
_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  0.92  1.0
  Ni  Ni1  1  0.48  0.75  0.12  1.0
  Pd  Pd2  1  0.0  0.0  0.46  1.0
  Pd  Pd3  1  0.48  0.75  0.47  1.0

Ti Ni Pd Pd