data_[Ba4Pd4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [6.9450]
_cell_length_b [12.6293]
_cell_length_c [7.5907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [BaPdCl4]
_chemical_formula_sum '[Ba4 Pd4 Cl16]'
_cell_volume [665.7878]
_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
[
  Ba  Ba0  4  0.0000  0.3521  0.2500  1
  Pd  Pd1  4  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.1106  0.1732  0.9697  1
  Cl  Cl3  8  0.2057  0.4361  0.8991  1
]