data_[Ba16Pd4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3959]
_cell_length_b [8.6743]
_cell_length_c [6.7803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Pd2F]
_chemical_formula_sum '[Ba16 Pd4 F2]'
_cell_volume [1080.9819]
_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  8  0.0690  0.2194  0.2339  1
  Ba  Ba1  4  0.1338  0.5000  0.7422  1
  Ba  Ba2  4  0.2089  0.0000  0.7454  1
  Pd  Pd3  4  0.2018  0.0000  0.2486  1
  F  F4  2  0.0000  0.0000  0.0000  1
]