data_[Na8Tl4Ag4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6467]
_cell_length_b [15.7157]
_cell_length_c [16.5201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2TlAgI4]
_chemical_formula_sum '[Na8 Tl4 Ag4 I16]'
_cell_volume [1206.4111]
_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  8  0.0000  0.3772  0.5578  1.0
  Tl  Tl1  4  0.0000  0.1333  0.7500  1.0
  Ag  Ag2  4  0.0000  0.1516  0.2500  1.0
  I  I3  8  0.0000  0.2653  0.1144  1.0
  I  I4  4  0.0000  0.0000  0.0000  1.0
  I  I5  4  0.0000  0.4554  0.7500  1.0
]