data_[Ag1Te3I8]
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 [Pmm2]
_cell_length_a [8.2323]
_cell_length_b [19.2039]
_cell_length_c [9.1440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AgTe3I8]
_chemical_formula_sum '[Ag1 Te3 I8]'
_cell_volume [1445.5989]
_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
[
  Ag  Ag0  1  0.5000  0.5000  0.1054  1
  Te  Te1  2  0.2489  0.5000  0.6190  1
  Te  Te2  1  0.0000  0.5000  0.0878  1
  I  I3  4  0.2541  0.3921  0.1045  1
  I  I4  2  0.0000  0.3905  0.5597  1
  I  I5  2  0.5000  0.3912  0.6762  1
]