data_[Rb1Na1Sm2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  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 [8.1962]
_cell_length_b [8.1962]
_cell_length_c [9.3997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [RbNa(SmI4)2]
_chemical_formula_sum '[Rb1 Na1 Sm2 I8]'
_cell_volume [546.8551]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Sm  Sm2  2  0.3333  0.6667  0.0930  1.0
  I  I3  6  0.0636  0.6912  0.8429  1.0
  I  I4  2  0.3333  0.6667  0.4132  1.0
]