data_[Li2Pd2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7727]
_cell_length_b [4.1722]
_cell_length_c [7.2740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPdI4]
_chemical_formula_sum '[Li2 Pd2 I8]'
_cell_volume [389.8290]
_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
[
  Li  Li0  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.1156  0.0000  0.3872  1.0
  I  I3  4  0.1273  0.5000  0.9454  1.0
]