data_[Pd8S9]
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 [P6]
_cell_length_a [10.2924]
_cell_length_b [10.2924]
_cell_length_c [18.8013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Pd8S9]
_chemical_formula_sum '[Pd8 S9]'
_cell_volume [1724.8585]
_cell_formula_units_Z [1]
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  6  0.1653  0.5194  0.4896  1
  Pd  Pd1  2  0.3333  0.6667  0.3780  1
  S  S2  6  0.0902  0.7073  0.5110  1
  S  S3  3  0.0000  0.5000  0.5801  1
]