data_[K4U2Pd4S12]
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 [C2/m]
_cell_length_a [6.2409]
_cell_length_b [10.8779]
_cell_length_c [8.0221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2U(PdS3)2]
_chemical_formula_sum '[K4 U2 Pd4 S12]'
_cell_volume [525.4030]
_cell_formula_units_Z [2]
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  0.1652  0.0000  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  4  0.0000  0.3320  0.5000  1
  S  S3  8  0.2336  0.1692  0.6901  1
  S  S4  4  0.2217  0.5000  0.6885  1
]