data_Na2TiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.36
_cell_angle_alpha   93.86
_cell_angle_beta   93.86
_cell_angle_gamma   37.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiPd
_chemical_formula_sum   'Na2 Ti1 Pd1'
_cell_volume   91.14
_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
  Na  Na0  1  0.06  0.0  0.1  1.0
  Na  Na1  1  0.41  0.0  0.09  1.0
  Ti  Ti3  1  0.7  0.0  0.03  1.0
  Pd  Pd2  1  0.01  0.0  0.14  1.0

data_Na2TiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.53
_cell_length_c   7.36
_cell_angle_alpha   93.86
_cell_angle_beta   90.0
_cell_angle_gamma   108.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiPd
_chemical_formula_sum   'Na2 Ti1 Pd1'
_cell_volume   91.14
_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
  Na  Na0  1  0.0  0.59  0.91  1.0
  Na  Na1  1  0.0  0.94  0.9  1.0
  Ti  Ti2  1  0.0  0.3  0.97  1.0
  Pd  Pd3  1  0.0  0.99  0.86  1.0

Na Na Ti Pd