data_[Rb3Li6Sc3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8358]
_cell_length_b [7.8358]
_cell_length_c [21.6655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [RbLi2ScI6]
_chemical_formula_sum '[Rb3 Li6 Sc3 I18]'
_cell_volume [1152.0419]
_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  0.1932  1.0
  Li  Li1  3  0.0000  0.0000  0.4852  1.0
  Li  Li2  3  0.0000  0.0000  0.9956  1.0
  Sc  Sc3  3  0.0000  0.0000  0.6732  1.0
  I  I4  9  0.0123  0.5890  0.2551  1.0
  I  I5  9  0.0211  0.3401  0.4097  1.0
]