data_[Tl4Ag4Pd4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [9.9043]
_cell_length_b [12.8666]
_cell_length_c [11.1680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAgPdI5]
_chemical_formula_sum '[Tl4 Ag4 Pd4 I20]'
_cell_volume [1300.8484]
_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
[
  Tl  Tl0  4  0.0000  0.4366  0.7500  1.0
  Ag  Ag1  4  0.0000  0.0285  0.7500  1.0
  Pd  Pd2  4  0.2500  0.2500  0.5000  1.0
  I  I3  8  0.0484  0.2003  0.6002  1.0
  I  I4  8  0.2338  0.4512  0.5646  1.0
  I  I5  4  0.0000  0.2897  0.2500  1.0
]