data_[Pd2S10O2]
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 [Imm2]
_cell_length_a [4.2491]
_cell_length_b [5.0359]
_cell_length_c [14.8481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [PdS5O]
_chemical_formula_sum '[Pd2 S10 O2]'
_cell_volume [317.7200]
_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  0.8945  1
  S  S1  4  0.0000  0.2049  0.0384  1
  S  S2  4  0.2271  0.0000  0.2723  1
  S  S3  2  0.0000  0.5000  0.6447  1
  O  O4  2  0.0000  0.5000  0.3701  1
]