data_[Tl4Pd4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [11.4272]
_cell_length_b [13.4482]
_cell_length_c [8.4990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlPdI5]
_chemical_formula_sum '[Tl4 Pd4 I20]'
_cell_volume [1113.9101]
_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  0.1033  0.7500  1.0
  Pd  Pd1  4  0.2500  0.2500  0.5000  1.0
  I  I2  8  0.1456  0.3193  0.7009  1.0
  I  I3  8  0.2228  0.4361  0.3497  1.0
  I  I4  4  0.0000  0.1661  0.2500  1.0
]