data_[Ce6Sm3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9945]
_cell_length_b [7.9945]
_cell_length_c [22.5994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ce2SmI6]
_chemical_formula_sum '[Ce6 Sm3 I18]'
_cell_volume [1250.8635]
_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
[
  Ce  Ce0  3  0.0000  0.0000  0.3153  1.0
  Ce  Ce1  3  0.0000  0.0000  0.4814  1.0
  Sm  Sm2  3  0.0000  0.0000  0.6452  1.0
  I  I3  9  0.0035  0.3432  0.2347  1.0
  I  I4  9  0.0104  0.6718  0.3961  1.0
]