data_[Na1Li5Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.0368]
_cell_length_b [3.0368]
_cell_length_c [16.7241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaLi5Pd4]
_chemical_formula_sum '[Na1 Li5 Pd4]'
_cell_volume [154.2310]
_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  0.0000  0.0000  0.0000  1.0
  Li  Li1  2  0.5000  0.5000  0.1511  1.0
  Li  Li2  2  0.5000  0.5000  0.3249  1.0
  Li  Li3  1  0.5000  0.5000  0.5000  1.0
  Pd  Pd4  2  0.0000  0.0000  0.2348  1.0
  Pd  Pd5  2  0.0000  0.0000  0.4126  1.0
]