data_[Ag4Pd4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8584]
_cell_length_b [10.2764]
_cell_length_c [10.5654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AgPdI5]
_chemical_formula_sum '[Ag4 Pd4 I20]'
_cell_volume [1071.6769]
_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  4  0.0000  0.4592  0.7500  1
  Pd  Pd1  4  0.2500  0.2500  0.5000  1
  I  I2  8  0.1082  0.2308  0.6579  1
  I  I3  8  0.2359  0.4908  0.0021  1
  I  I4  4  0.0000  0.2626  0.2500  1
]