data_[Cs2Pd1I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.2562]
_cell_length_b [6.0512]
_cell_length_c [20.3368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cs2PdI4]
_chemical_formula_sum '[Cs2 Pd1 I4]'
_cell_volume [892.9688]
_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
[
  Cs  Cs0  1  0.1142  0.5000  0.6051  1
  Cs  Cs1  1  0.6241  0.0000  0.4328  1
  Pd  Pd2  1  0.0631  0.0000  0.3686  1
  I  I3  2  0.6163  0.2495  0.6201  1
  I  I4  1  0.0185  0.5000  0.3577  1
  I  I5  1  0.1342  0.0000  0.4957  1
]