data_[Na6Ag8I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3259]
_cell_length_b [12.8908]
_cell_length_c [8.6284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.8862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(AgI2)4]
_chemical_formula_sum '[Na6 Ag8 I16]'
_cell_volume [988.0905]
_cell_formula_units_Z [2]
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  0.2500  0.2500  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag2  4  0.2500  0.2500  0.0000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag4  2  0.0000  0.0000  0.5000  1.0
  I  I5  4  0.0000  0.2505  0.5000  1.0
  I  I6  4  0.0000  0.2583  0.0000  1.0
  I  I7  4  0.2253  0.0000  0.4670  1.0
  I  I8  4  0.2311  0.0000  0.9838  1.0
]