data_[Pd4Pt2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7583]
_cell_length_b [8.0903]
_cell_length_c [5.6584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pd2PtI6]
_chemical_formula_sum '[Pd4 Pt2 I12]'
_cell_volume [715.4601]
_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
[
  Pd  Pd0  4  0.2500  0.2500  0.5000  1
  Pt  Pt1  2  0.0000  0.0000  0.5000  1
  I  I2  8  0.0872  0.2348  0.3178  1
  I  I3  4  0.2369  0.0000  0.7933  1
]