data_[Rb3Li3Sc6I24]
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 [R-3]
_cell_length_a [7.6156]
_cell_length_b [7.6156]
_cell_length_c [32.4912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [RbLi(ScI4)2]
_chemical_formula_sum '[Rb3 Li3 Sc6 I24]'
_cell_volume [1631.9256]
_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  0.5000  1.0
  Li  Li1  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  6  0.0000  0.0000  0.2541  1.0
  I  I3  18  0.0024  0.6563  0.7226  1.0
  I  I4  6  0.0000  0.0000  0.1706  1.0
]