data_[Na16Sb4I4]
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 [I4_1/amd]
_cell_length_a [7.5452]
_cell_length_b [7.5452]
_cell_length_c [14.9914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Na4SbI]
_chemical_formula_sum '[Na16 Sb4 I4]'
_cell_volume [853.4481]
_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  16  0.2173  0.2500  0.6250  1.0
  Sb  Sb1  4  0.0000  0.0000  0.5000  1.0
  I  I2  4  0.0000  0.0000  0.0000  1.0
]