data_[K1Li1Sm2I8]
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
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.9538]
_cell_length_b [7.9538]
_cell_length_c [9.2824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [KLi(SmI4)2]
_chemical_formula_sum '[K1 Li1 Sm2 I8]'
_cell_volume [508.5574]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm2  2  0.3333  0.6667  0.0956  1.0
  I  I3  6  0.0664  0.7095  0.8400  1.0
  I  I4  2  0.3333  0.6667  0.4198  1.0
]