data_[Zn12Pt4I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [18.5590]
_cell_length_b [10.2063]
_cell_length_c [14.5982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Zn3PtI9]
_chemical_formula_sum '[Zn12 Pt4 I36]'
_cell_volume [2213.4398]
_cell_formula_units_Z [4]
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
[
  Zn  Zn0  4  0.1023  0.8506  0.1588  1
  Zn  Zn1  4  0.3909  0.6225  0.8371  1
  Zn  Zn2  4  0.4713  0.0223  0.2213  1
  Pt  Pt3  4  0.2626  0.3311  0.5196  1
  I  I4  4  0.0523  0.0512  0.0122  1
  I  I5  4  0.1074  0.4520  0.4383  1
  I  I6  4  0.1915  0.0782  0.8648  1
  I  I7  4  0.2459  0.4076  0.3306  1
  I  I8  4  0.2584  0.7648  0.1858  1
  I  I9  4  0.3583  0.4405  0.1399  1
  I  I10  4  0.3811  0.1142  0.2938  1
  I  I11  4  0.4156  0.2019  0.5991  1
  I  I12  4  0.4801  0.1632  0.0766  1
]