data_[Ag5I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.6423]
_cell_length_b [7.6423]
_cell_length_c [18.9326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ag5I6]
_chemical_formula_sum '[Ag5 I6]'
_cell_volume [957.6180]
_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  3  0.0000  0.3154  0.5310  1
  Ag  Ag1  2  0.3333  0.6667  0.4444  1
  I  I2  3  0.0000  0.7033  0.4023  1
  I  I3  2  0.3333  0.6667  0.6007  1
  I  I4  1  0.0000  0.0000  0.6100  1
]