data_[Na12P8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3173]
_cell_length_b [10.4973]
_cell_length_c [14.8034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3P2Pd3]
_chemical_formula_sum '[Na12 P8 Pd12]'
_cell_volume [670.8805]
_cell_formula_units_Z [4]
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  8  0.0000  0.0539  0.6131  1.0
  Na  Na1  4  0.0000  0.3810  0.7500  1.0
  P  P2  8  0.0000  0.2248  0.1067  1.0
  Pd  Pd3  8  0.0000  0.3046  0.5453  1.0
  Pd  Pd4  4  0.0000  0.3084  0.2500  1.0
]