data_[Pd6S2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6445]
_cell_length_b [5.5827]
_cell_length_c [8.6036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pd3SO6]
_chemical_formula_sum '[Pd6 S2 O12]'
_cell_volume [258.2504]
_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  4  0.3262  0.5932  0.3166  1
  Pd  Pd1  2  0.5000  0.0000  0.5000  1
  S  S2  2  0.0000  0.0000  0.0000  1
  O  O3  4  0.0755  0.7325  0.4187  1
  O  O4  4  0.1727  0.1666  0.9242  1
  O  O5  4  0.4119  0.5657  0.7605  1
]