data_[Na2Li2In2I6]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6393]
_cell_length_b [4.6838]
_cell_length_c [10.4382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3983]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLiInI3]
_chemical_formula_sum '[Na2 Li2 In2 I6]'
_cell_volume [458.4446]
_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  0.3394  0.7500  0.8575  1.0
  Li  Li1  2  0.0877  0.2500  0.6022  1.0
  In  In2  2  0.1943  0.2500  0.2087  1.0
  I  I3  2  0.1067  0.2500  0.8692  1.0
  I  I4  2  0.2011  0.7500  0.5256  1.0
  I  I5  2  0.4376  0.7500  0.1720  1.0
]