data_[Pd32S48]
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
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.0766]
_cell_length_b [10.3673]
_cell_length_c [21.2493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Pd2S3]
_chemical_formula_sum '[Pd32 S48]'
_cell_volume [1558.9458]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.2440  1
  Pd  Pd1  16  0.0000  0.0000  0.4201  1
  S  S2  32  0.0208  0.2292  0.5766  1
  S  S3  16  0.0083  0.2500  0.7500  1
]