data_[K2U8S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8352]
_cell_length_b [7.9967]
_cell_length_c [10.4353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9300]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(US2)4]
_chemical_formula_sum '[K2 U8 S16]'
_cell_volume [872.2548]
_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  2  0.0000  0.5000  0.5000  1
  U  U1  4  0.0000  0.2482  0.0000  1
  U  U2  4  0.2409  0.0000  0.9827  1
  S  S3  8  0.2429  0.2608  0.8187  1
  S  S4  4  0.0014  0.5000  0.8257  1
  S  S5  4  0.0112  0.0000  0.1849  1
]