data_[Na2Ag1Te1I6]
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
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7721]
_cell_length_b [7.9587]
_cell_length_c [8.3784]
_cell_angle_alpha [66.0601]
_cell_angle_beta [63.6844]
_cell_angle_gamma [63.9918]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2AgTeI6]
_chemical_formula_sum '[Na2 Ag1 Te1 I6]'
_cell_volume [402.8723]
_cell_formula_units_Z [1]
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  1  0.0008  0.9991  0.0394  1.0
  Na  Na1  1  0.4755  0.4874  0.5434  1.0
  Ag  Ag2  1  0.1875  0.1610  0.4665  1.0
  Te  Te3  1  0.6718  0.6710  0.9815  1.0
  I  I4  1  0.0409  0.7904  0.7503  1.0
  I  I5  1  0.2963  0.5650  0.2214  1.0
  I  I6  1  0.3877  0.0871  0.7058  1.0
  I  I7  1  0.5770  0.8921  0.2459  1.0
  I  I8  1  0.7797  0.4221  0.7488  1.0
  I  I9  1  0.9212  0.2631  0.2818  1.0
]