data_[Ba2Na2Pd2F12]
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 [C2]
_cell_length_a [5.8754]
_cell_length_b [9.7014]
_cell_length_c [5.6157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaNaPdF6]
_chemical_formula_sum '[Ba2 Na2 Pd2 F12]'
_cell_volume [320.0086]
_cell_formula_units_Z [2]
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  2  0.0000  0.9999  0.5000  1.0
  Na  Na1  2  0.0000  0.6748  0.0000  1.0
  Pd  Pd2  2  0.0000  0.3336  0.0000  1.0
  F  F3  4  0.1412  0.4818  0.2025  1.0
  F  F4  4  0.1578  0.1897  0.2003  1.0
  F  F5  4  0.2006  0.8244  0.2322  1.0
]