data_[Na2Tl2Ag2I6]
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 [P2_1/m]
_cell_length_a [9.8102]
_cell_length_b [4.6534]
_cell_length_c [10.5282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlAgI3]
_chemical_formula_sum '[Na2 Tl2 Ag2 I6]'
_cell_volume [467.0657]
_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  2  0.3409  0.7500  0.8580  1.0
  Tl  Tl1  2  0.1923  0.2500  0.2110  1.0
  Ag  Ag2  2  0.0749  0.2500  0.5815  1.0
  I  I3  2  0.1054  0.2500  0.8618  1.0
  I  I4  2  0.2293  0.7500  0.5218  1.0
  I  I5  2  0.4387  0.7500  0.1697  1.0
]