data_[Pd2S4Br2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8454]
_cell_length_b [5.1565]
_cell_length_c [9.0890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PdS2BrO8]
_chemical_formula_sum '[Pd2 S4 Br2 O16]'
_cell_volume [414.0218]
_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
[
  Pd  Pd0  2  0.0000  0.0000  0.0000  1.0
  S  S1  4  0.1736  0.5000  0.2068  1.0
  Br  Br2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0724  0.2656  0.1825  1.0
  O  O4  4  0.2310  0.0000  0.6058  1.0
  O  O5  4  0.2429  0.0000  0.8883  1.0
]