data_[Na1Li2I1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7966]
_cell_length_b [7.1959]
_cell_length_c [7.2370]
_cell_angle_alpha [81.6684]
_cell_angle_beta [66.7623]
_cell_angle_gamma [69.6865]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaLi2ICl6]
_chemical_formula_sum '[Na1 Li2 I1 Cl6]'
_cell_volume [304.9897]
_cell_formula_units_Z [1]
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  1  0.6771  0.4982  0.0835  1.0
  Li  Li1  1  0.1065  0.9035  0.0234  1.0
  Li  Li2  1  0.1088  0.3569  0.3557  1.0
  I  I3  1  0.6327  0.0823  0.6990  1.0
  Cl  Cl4  1  0.0339  0.2125  0.1401  1.0
  Cl  Cl5  1  0.2196  0.6312  0.2167  1.0
  Cl  Cl6  1  0.4355  0.3312  0.5021  1.0
  Cl  Cl7  1  0.4355  0.8512  0.6940  1.0
  Cl  Cl8  1  0.8304  0.8294  0.9260  1.0
  Cl  Cl9  1  0.8432  0.3188  0.6979  1.0
]