data_[Cs3K6Sm3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.8940]
_cell_length_b [8.8940]
_cell_length_c [23.6307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsK2SmI6]
_chemical_formula_sum '[Cs3 K6 Sm3 I18]'
_cell_volume [1618.8335]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.8112  1.0
  K  K1  3  0.0000  0.0000  0.0086  1.0
  K  K2  3  0.0000  0.0000  0.5238  1.0
  Sm  Sm3  3  0.0000  0.0000  0.3262  1.0
  I  I4  9  0.0484  0.3627  0.9216  1.0
  I  I5  9  0.0718  0.6901  0.0756  1.0
]