data_[Ba1Na2Pd1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.6022]
_cell_length_b [6.6022]
_cell_length_c [8.1124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [BaNa2PdCl8]
_chemical_formula_sum '[Ba1 Na2 Pd1 Cl8]'
_cell_volume [306.2397]
_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  1.0
  Na  Na1  2  0.3333  0.6667  0.1471  1.0
  Pd  Pd2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  6  0.1652  0.3305  0.8278  1.0
  Cl  Cl4  2  0.3333  0.6667  0.4743  1.0
]