data_[K8Pd4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6653]
_cell_length_b [11.6153]
_cell_length_c [11.9014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2PdS2]
_chemical_formula_sum '[K8 Pd4 S8]'
_cell_volume [506.6816]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.0000  0.1684  0.9129  1
  K  K1  4  0.0000  0.4252  0.1186  1
  Pd  Pd2  4  0.0000  0.1313  0.2499  1
  S  S3  4  0.0000  0.2937  0.6430  1
  S  S4  4  0.0000  0.4459  0.8556  1
]