data_[Pt2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0908]
_cell_length_b [7.1384]
_cell_length_c [7.2554]
_cell_angle_alpha [108.2803]
_cell_angle_beta [95.7456]
_cell_angle_gamma [117.4618]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PtI3]
_chemical_formula_sum '[Pt2 I6]'
_cell_volume [296.0748]
_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
[
  Pt  Pt0  2  0.1706  0.3442  0.5027  1
  I  I1  2  0.1026  0.9307  0.2749  1
  I  I2  2  0.1974  0.7356  0.7321  1
  I  I3  2  0.4452  0.5204  0.2467  1
]