data_[Na4Ag4I12]
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 [Cmc2_1]
_cell_length_a [5.7451]
_cell_length_b [16.7503]
_cell_length_c [7.6325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaAgI3]
_chemical_formula_sum '[Na4 Ag4 I12]'
_cell_volume [734.4885]
_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  0.1432  0.0013  1.0
  Ag  Ag1  4  0.0000  0.4237  0.0951  1.0
  I  I2  4  0.0000  0.0718  0.6109  1.0
  I  I3  4  0.0000  0.2811  0.2840  1.0
  I  I4  4  0.0000  0.4158  0.7146  1.0
]