data_[Na6In3Sn3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.0222]
_cell_length_b [8.0222]
_cell_length_c [22.0306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2InSnI6]
_chemical_formula_sum '[Na6 In3 Sn3 I18]'
_cell_volume [1227.8410]
_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  0.4876  1
  Na  Na1  3  0.0000  0.0000  0.9869  1
  In  In2  3  0.0000  0.0000  0.6764  1
  Sn  Sn3  3  0.0000  0.0000  0.1757  1
  I  I4  9  0.0293  0.3455  0.7518  1
  I  I5  9  0.0314  0.6841  0.2525  1
]