data_[Na4Ag8I12]
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 [Cc]
_cell_length_a [8.3065]
_cell_length_b [14.5026]
_cell_length_c [8.2538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaAg2I3]
_chemical_formula_sum '[Na4 Ag8 I12]'
_cell_volume [938.1875]
_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  0.4864  0.4099  0.4966  1
  Ag  Ag1  4  0.4876  0.2465  0.9918  1
  Ag  Ag2  4  0.4895  0.0811  0.4914  1
  I  I3  4  0.3535  0.2356  0.6231  1
  I  I4  4  0.3545  0.4083  0.1027  1
  I  I5  4  0.3811  0.9175  0.6231  1
]