data_[K12Li6U6I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  U  1.3800  1.7500  0.9913
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5376]
_cell_length_b [8.5376]
_cell_length_c [43.5416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2LiUI6]
_chemical_formula_sum '[K12 Li6 U6 I36]'
_cell_volume [2748.5763]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1078  1
  K  K1  6  0.0000  0.0000  0.2729  1
  Li  Li2  3  -0.0000  -0.0000  0.5000  1
  Li  Li3  3  0.0000  0.0000  0.0000  1
  U  U4  6  0.0000  0.0000  0.4148  1
  I  I5  18  0.0001  0.5000  0.1254  1
  I  I6  18  0.0132  0.5066  0.7081  1
]