data_[K3U3In6I18]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.6793]
_cell_length_b [8.6793]
_cell_length_c [22.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KU(InI3)2]
_chemical_formula_sum '[K3 U3 In6 I18]'
_cell_volume [1475.2306]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5004  1
  U  U1  3  0.0000  0.0000  0.0097  1
  In  In2  3  0.0000  0.0000  0.2062  1
  In  In3  3  0.0000  0.0000  0.6966  1
  I  I4  9  0.0493  0.7051  0.6026  1
  I  I5  9  0.0508  0.3832  0.7640  1
]