data_[Na2Li1I1Cl6]
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 [7.0121]
_cell_length_b [7.2725]
_cell_length_c [7.4018]
_cell_angle_alpha [85.7068]
_cell_angle_beta [65.4200]
_cell_angle_gamma [63.1292]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2LiICl6]
_chemical_formula_sum '[Na2 Li1 I1 Cl6]'
_cell_volume [303.1967]
_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  0.0326  0.4446  0.4266  1
  Na  Na1  1  0.0866  0.9230  0.9952  1
  Li  Li2  1  0.6689  0.5172  0.0774  1
  I  I3  1  0.6446  0.0433  0.6942  1
  Cl  Cl4  1  0.2612  0.6664  0.2282  1
  Cl  Cl5  1  0.4503  0.3119  0.5178  1
  Cl  Cl6  1  0.5082  0.8059  0.6185  1
  Cl  Cl7  1  0.8279  0.2514  0.7639  1
  Cl  Cl8  1  0.8468  0.7541  0.8834  1
  Cl  Cl9  1  0.9961  0.2975  0.1333  1
]