data_NaNiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   150.34
_cell_angle_beta   128.24
_cell_angle_gamma   60.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiPd2
_chemical_formula_sum   'Na1 Ni1 Pd2'
_cell_volume   63.29
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.72  1.0
  Pd  Pd2  1  0.4  0.0  0.62  1.0
  Pd  Pd3  1  0.0  0.39  0.1  1.0

data_NaNiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.78
_cell_length_c   5.48
_cell_angle_alpha   115.88
_cell_angle_beta   104.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiPd2
_chemical_formula_sum   'Na1 Ni1 Pd2'
_cell_volume   63.29
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.72  0.72  1.0
  Pd  Pd2  1  0.0  0.62  0.22  1.0
  Pd  Pd3  1  0.61  0.71  0.71  1.0

Na Ni Pd Pd