data_[Ag4Au4I14]
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/m]
_cell_length_a [7.7270]
_cell_length_b [15.1843]
_cell_length_c [7.7530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag2Au2I7]
_chemical_formula_sum '[Ag4 Au4 I14]'
_cell_volume [905.8622]
_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  4  0.0000  0.2538  0.0000  1.0
  Au  Au1  4  0.2340  0.0000  0.2048  1.0
  I  I2  8  0.2316  0.3258  0.7626  1.0
  I  I3  4  0.2419  0.0000  0.8356  1.0
  I  I4  2  0.0000  0.0000  0.5000  1.0
]