data_[Na3Li6Sb3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.6941]
_cell_length_b [7.6941]
_cell_length_c [21.1123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaLi2SbI6]
_chemical_formula_sum '[Na3 Li6 Sb3 I18]'
_cell_volume [1082.3749]
_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
[
  Na  Na0  3  0.0000  0.0000  0.1847  1
  Li  Li1  3  0.0000  0.0000  0.4860  1
  Li  Li2  3  0.0000  0.0000  0.9991  1
  Sb  Sb3  3  0.0000  0.0000  0.6726  1
  I  I4  9  0.0084  0.3249  0.0812  1
  I  I5  9  0.0089  0.6319  0.2505  1
]