data_[Sb2Pd6I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8702]
_cell_length_b [5.7398]
_cell_length_c [8.9325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SbPd3I]
_chemical_formula_sum '[Sb2 Pd6 I2]'
_cell_volume [249.3373]
_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
[
  Sb  Sb0  2  0.3288  0.7500  0.1146  1.0
  Pd  Pd1  4  0.1604  0.0054  0.8670  1.0
  Pd  Pd2  2  0.3383  0.2500  0.1354  1.0
  I  I3  2  0.2791  0.7500  0.6196  1.0
]