data_[Ag2Te2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [4.7881]
_cell_length_b [8.6668]
_cell_length_c [10.9791]
_cell_angle_alpha [100.0515]
_cell_angle_beta [95.5447]
_cell_angle_gamma [93.8099]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AgTeI3]
_chemical_formula_sum '[Ag2 Te2 I6]'
_cell_volume [444.8939]
_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
[
  Ag  Ag0  1  0.2435  0.8615  0.1900  1.0
  Ag  Ag1  1  0.5440  0.7660  0.9594  1.0
  Te  Te2  1  0.2343  0.1486  0.7123  1.0
  Te  Te3  1  0.5164  0.3275  0.5599  1.0
  I  I4  1  0.0771  0.9431  0.9321  1.0
  I  I5  1  0.2278  0.5958  0.5424  1.0
  I  I6  1  0.3183  0.1892  0.3040  1.0
  I  I7  1  0.6413  0.4501  0.8434  1.0
  I  I8  1  0.7233  0.6888  0.2002  1.0
  I  I9  1  0.9234  0.9217  0.5267  1.0
]