data_[Na3Sr6In3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.4448]
_cell_length_b [8.4448]
_cell_length_c [22.6377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaSr2InI6]
_chemical_formula_sum '[Na3 Sr6 In3 I18]'
_cell_volume [1398.1171]
_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  0.6805  1.0
  Sr  Sr1  3  0.0000  0.0000  0.4869  1.0
  Sr  Sr2  3  0.0000  0.0000  0.9915  1.0
  In  In3  3  0.0000  0.0000  0.1859  1.0
  I  I4  9  0.0030  0.3172  0.0809  1.0
  I  I5  9  0.0237  0.6412  0.2505  1.0
]