data_[Na12As12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3887]
_cell_length_b [10.6308]
_cell_length_c [13.9461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3As3Pd2]
_chemical_formula_sum '[Na12 As12 Pd8]'
_cell_volume [650.6537]
_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  0.0809  0.6233  1.0
  Na  Na1  4  0.0000  0.3737  0.7500  1.0
  As  As2  8  0.0000  0.3914  0.5343  1.0
  As  As3  4  0.0000  0.3241  0.2500  1.0
  Pd  Pd4  8  0.0000  0.2114  0.0876  1.0
]