data_[Ba2Pd2S4O16]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7882]
_cell_length_b [5.1111]
_cell_length_c [8.3523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPd(SO4)2]
_chemical_formula_sum '[Ba2 Pd2 S4 O16]'
_cell_volume [401.9618]
_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  0.0000  0.5000  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.0934  0.5000  0.2703  1.0
  O  O3  8  0.0003  0.2598  0.8141  1.0
  O  O4  4  0.1272  0.5000  0.4646  1.0
  O  O5  4  0.2158  0.5000  0.2411  1.0
]