data_TiSiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.08
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   103.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiPd2
_chemical_formula_sum   'Ti1 Si1 Pd2'
_cell_volume   59.85
_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  0.8  0.0  0.6  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.44  0.04  0.95  1.0
  Pd  Pd1  1  0.17  0.04  0.26  1.0

data_TiSiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.08
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   103.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSiPd2
_chemical_formula_sum   'Ti1 Si1 Pd2'
_cell_volume   59.85
_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  0.8  0.0  0.6  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.17  0.04  0.26  1.0
  Pd  Pd3  1  0.44  0.04  0.95  1.0

Ti Si Pd Pd