data_[Pd1S2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0139]
_cell_length_b [7.1674]
_cell_length_c [9.3251]
_cell_angle_alpha [102.4237]
_cell_angle_beta [95.5854]
_cell_angle_gamma [101.4403]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pd(SI3)2]
_chemical_formula_sum '[Pd1 S2 I6]'
_cell_volume [380.5995]
_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
[
  Pd  Pd0  1  0.0000  0.5000  0.5000  1.0
  S  S1  2  0.2360  0.7414  0.6967  1.0
  I  I2  2  0.0010  0.9977  0.7086  1.0
  I  I3  2  0.2638  0.6630  0.9393  1.0
  I  I4  2  0.2715  0.6806  0.3369  1.0
]