data_[Ag8Au8I28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.7896]
_cell_length_b [12.0493]
_cell_length_c [14.7334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9158]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag2Au2I7]
_chemical_formula_sum '[Ag8 Au8 I28]'
_cell_volume [1800.8895]
_cell_formula_units_Z [4]
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  8  0.1733  0.4192  0.9679  1
  Au  Au1  8  0.2018  0.2595  0.3076  1
  I  I2  8  0.1119  0.4032  0.5737  1
  I  I3  8  0.1665  0.0646  0.6054  1
  I  I4  8  0.2192  0.2349  0.8660  1
  I  I5  4  0.0000  0.1200  0.2500  1
]