data_[Na4Sb4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0578]
_cell_length_b [18.7756]
_cell_length_c [7.7787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaSbI4]
_chemical_formula_sum '[Na4 Sb4 I16]'
_cell_volume [1094.1700]
_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  0.4261  0.7500  1.0
  Sb  Sb1  4  0.0000  0.0739  0.2500  1.0
  I  I2  8  0.2216  0.1793  0.2373  1.0
  I  I3  8  0.2455  0.0537  0.7261  1.0
]