data_[Na4In8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6911]
_cell_length_b [13.9339]
_cell_length_c [9.1720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na(InI3)2]
_chemical_formula_sum '[Na4 In8 I24]'
_cell_volume [1870.2281]
_cell_formula_units_Z [4]
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  4  0.0000  0.0919  0.7500  1.0
  In  In1  8  0.2069  0.3974  0.7434  1.0
  I  I2  8  0.1013  0.0936  0.1399  1.0
  I  I3  8  0.1338  0.4926  0.9555  1.0
  I  I4  8  0.1614  0.2035  0.6837  1.0
]