data_[K4Pt4I4]
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 [Imm2]
_cell_length_a [3.9706]
_cell_length_b [5.6851]
_cell_length_c [18.2887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KPtI]
_chemical_formula_sum '[K4 Pt4 I4]'
_cell_volume [412.8303]
_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
[
  K  K0  2  0.0000  0.0000  0.4755  1
  K  K1  2  0.0000  0.0000  0.7035  1
  Pt  Pt2  2  0.0000  0.0000  0.9713  1
  Pt  Pt3  2  0.0000  0.5000  0.5670  1
  I  I4  2  0.0000  0.0000  0.1678  1
  I  I5  2  0.0000  0.5000  0.3680  1
]