data_[Na10Ag2I12]
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 [7.9133]
_cell_length_b [13.7479]
_cell_length_c [7.9116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na5AgI6]
_chemical_formula_sum '[Na10 Ag2 I12]'
_cell_volume [812.2715]
_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  0.0000  0.1673  0.5000  1.0
  Na  Na1  4  0.0000  0.3330  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  I  I4  8  0.2455  0.1624  0.2468  1.0
  I  I5  4  0.2399  0.0000  0.7604  1.0
]