data_[K8U4Pd4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  U  1.3800  1.7500  0.9913
  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 [3.9817]
_cell_length_b [18.1285]
_cell_length_c [13.5034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2UPdS5]
_chemical_formula_sum '[K8 U4 Pd4 S20]'
_cell_volume [974.6939]
_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  0.1190  0.6703  1
  K  K1  4  0.0000  0.1200  0.3239  1
  U  U2  4  0.0000  0.1902  0.0194  1
  Pd  Pd3  4  0.0000  0.4419  0.4442  1
  S  S4  4  0.0000  0.0504  0.0463  1
  S  S5  4  0.0000  0.3009  0.6460  1
  S  S6  4  0.0000  0.3144  0.3905  1
  S  S7  4  0.0000  0.3243  0.9969  1
  S  S8  4  0.0000  0.4846  0.2863  1
]