data_[K4U8I44]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [14.0767]
_cell_length_b [14.1921]
_cell_length_c [15.9632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [KU2I11]
_chemical_formula_sum '[K4 U8 I44]'
_cell_volume [3189.1045]
_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  0.5000  0.2500  1
  U  U1  8  0.1595  0.1519  0.5000  1
  I  I2  16  0.0567  0.2552  0.3702  1
  I  I3  16  0.2390  0.5454  0.6288  1
  I  I4  8  0.1965  0.2085  0.0000  1
  I  I5  4  0.0000  0.0000  0.0000  1
]