data_[Rb3Na6Sc3I18]
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
  Sc  1.3600  1.6000  0.8850
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1409]
_cell_length_b [8.1409]
_cell_length_c [22.3544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbNa2ScI6]
_chemical_formula_sum '[Rb3 Na6 Sc3 I18]'
_cell_volume [1283.0374]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.1885  1.0
  Na  Na1  3  0.0000  0.0000  0.4821  1.0
  Na  Na2  3  0.0000  0.0000  0.9993  1.0
  Sc  Sc3  3  0.0000  0.0000  0.6707  1.0
  I  I4  9  0.0288  0.6185  0.2568  1.0
  I  I5  9  0.0332  0.3654  0.4095  1.0
]