data_[Cs16Pt4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [19.5079]
_cell_length_b [9.9101]
_cell_length_c [9.1051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8Pt2I3]
_chemical_formula_sum '[Cs16 Pt4 I6]'
_cell_volume [1646.9815]
_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
[
  Cs  Cs0  8  0.1413  0.2363  0.4150  1
  Cs  Cs1  4  0.1105  0.5000  0.8149  1
  Cs  Cs2  4  0.1350  0.0000  0.9734  1
  Pt  Pt3  4  0.2412  0.5000  0.6525  1
  I  I4  4  0.0000  0.2703  0.0000  1
  I  I5  2  0.0000  0.0000  0.5000  1
]