data_[Li6Sc3Ga3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5738]
_cell_length_b [7.5738]
_cell_length_c [21.0506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2ScGaI6]
_chemical_formula_sum '[Li6 Sc3 Ga3 I18]'
_cell_volume [1045.7408]
_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
[
  Li  Li0  3  0.0000  0.0000  0.0019  1.0
  Li  Li1  3  0.0000  0.0000  0.5091  1.0
  Sc  Sc2  3  0.0000  0.0000  0.3280  1.0
  Ga  Ga3  3  0.0000  0.0000  0.8199  1.0
  I  I4  9  0.0097  0.3414  0.9210  1.0
  I  I5  9  0.0454  0.6969  0.0798  1.0
]