data_[Cs1Pd1I1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7094]
_cell_length_b [7.1287]
_cell_length_c [7.3502]
_cell_angle_alpha [109.4098]
_cell_angle_beta [105.0327]
_cell_angle_gamma [91.6868]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsPdICl6]
_chemical_formula_sum '[Cs1 Pd1 I1 Cl6]'
_cell_volume [317.6391]
_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  0.0956  0.9642  0.0042  1.0
  Pd  Pd1  1  0.6735  0.5388  0.3498  1.0
  I  I2  1  0.3678  0.3973  0.7423  1.0
  Cl  Cl3  1  0.0420  0.4902  0.5307  1.0
  Cl  Cl4  1  0.1990  0.4774  0.0155  1.0
  Cl  Cl5  1  0.5323  0.2819  0.4412  1.0
  Cl  Cl6  1  0.6284  0.7874  0.6264  1.0
  Cl  Cl7  1  0.6799  0.2827  0.0496  1.0
  Cl  Cl8  1  0.7813  0.7801  0.2404  1.0
]