data_[Ag2Pd1Au1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2327]
_cell_length_b [7.5250]
_cell_length_c [7.7941]
_cell_angle_alpha [96.1831]
_cell_angle_beta [104.2715]
_cell_angle_gamma [115.6595]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag2PdAuI6]
_chemical_formula_sum '[Ag2 Pd1 Au1 I6]'
_cell_volume [359.2280]
_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  2  0.1289  0.3115  0.0237  1.0
  Pd  Pd1  1  0.5000  0.0000  0.0000  1.0
  Au  Au2  1  0.0000  0.5000  0.5000  1.0
  I  I3  2  0.1454  0.9899  0.7910  1.0
  I  I4  2  0.2132  0.6749  0.2725  1.0
  I  I5  2  0.4269  0.6625  0.7889  1.0
]