data_[K4Pd12S8]
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 [C2/m]
_cell_length_a [15.0633]
_cell_length_b [3.9088]
_cell_length_c [8.7712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KPd3S2]
_chemical_formula_sum '[K4 Pd12 S8]'
_cell_volume [479.5627]
_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  0.1372  0.0000  0.0427  1.0
  Pd  Pd1  4  0.0443  0.0000  0.3809  1.0
  Pd  Pd2  4  0.1025  0.5000  0.6438  1.0
  Pd  Pd3  4  0.1868  0.5000  0.4057  1.0
  S  S4  4  0.0220  0.5000  0.2249  1.0
  S  S5  4  0.2003  0.0000  0.7166  1.0
]