data_[Ag1Te4I1]
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 [P-1]
_cell_length_a [4.0578]
_cell_length_b [6.7144]
_cell_length_c [9.2300]
_cell_angle_alpha [74.5089]
_cell_angle_beta [89.0391]
_cell_angle_gamma [81.0635]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AgTe4I]
_chemical_formula_sum '[Ag1 Te4 I1]'
_cell_volume [239.3179]
_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  0.0000  0.0000  0.0000  1
  Te  Te1  2  0.4685  0.1646  0.7921  1
  Te  Te2  2  0.4810  0.1457  0.3580  1
  I  I3  1  0.5000  0.5000  0.0000  1
]