data_[Na8As16Pd12]
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 [Fmmm]
_cell_length_a [5.7823]
_cell_length_b [10.2320]
_cell_length_c [12.1414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Na2As4Pd3]
_chemical_formula_sum '[Na8 As16 Pd12]'
_cell_volume [718.3377]
_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  0.0000  0.3683  1
  As  As1  16  0.0000  0.1669  0.1555  1
  Pd  Pd2  8  0.2500  0.2500  0.0000  1
  Pd  Pd3  4  0.0000  0.0000  0.0000  1
]