data_[Na2Li6I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.4254]
_cell_length_b [8.1437]
_cell_length_c [7.5455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaLi3I4]
_chemical_formula_sum '[Na2 Li6 I8]'
_cell_volume [579.1743]
_cell_formula_units_Z [2]
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  2  0.0000  0.1644  0.0068  1.0
  Li  Li1  4  0.2477  0.3354  0.5050  1.0
  Li  Li2  2  0.0000  0.8235  0.5015  1.0
  I  I3  4  0.2330  0.6553  0.6353  1.0
  I  I4  2  0.0000  0.1584  0.5941  1.0
  I  I5  2  0.0000  0.8045  0.1322  1.0
]