data_[K2Pt2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [9.2628]
_cell_length_b [10.1654]
_cell_length_c [7.4048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KPtI6]
_chemical_formula_sum '[K2 Pt2 I12]'
_cell_volume [670.7310]
_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
[
  K  K0  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt1  2  0.0000  0.5000  0.5000  1.0
  I  I2  8  0.1777  0.3125  0.7178  1.0
  I  I3  4  0.1619  0.5000  0.2508  1.0
]