data_[K12Ag6Pt6I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9546]
_cell_length_b [7.9546]
_cell_length_c [42.5515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2AgPtI6]
_chemical_formula_sum '[K12 Ag6 Pt6 I36]'
_cell_volume [2331.7768]
_cell_formula_units_Z [6]
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
[
  K  K0  6  0.0000  0.0000  0.1126  1
  K  K1  6  0.0000  0.0000  0.3060  1
  Ag  Ag2  6  0.0000  0.0000  0.4157  1
  Pt  Pt3  3  -0.0000  -0.0000  0.5000  1
  Pt  Pt4  3  0.0000  0.0000  0.0000  1
  I  I5  18  0.0054  0.5027  0.1291  1
  I  I6  18  0.0072  0.5036  0.7053  1
]