data_[Ba1Na2Pd1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1945]
_cell_length_b [5.1945]
_cell_length_c [7.8000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaNa2PdF8]
_chemical_formula_sum '[Ba1 Na2 Pd1 F8]'
_cell_volume [182.2689]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1
  Na  Na1  2  0.3333  0.6667  0.8299  1
  Pd  Pd2  1  0.0000  0.0000  0.0000  1
  F  F3  6  0.1678  0.3356  0.1555  1
  F  F4  2  0.3333  0.6667  0.5559  1
]