data_[K2Pt2I2]
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 [P-1]
_cell_length_a [3.9643]
_cell_length_b [6.6691]
_cell_length_c [8.1062]
_cell_angle_alpha [80.7344]
_cell_angle_beta [80.7799]
_cell_angle_gamma [73.0604]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KPtI]
_chemical_formula_sum '[K2 Pt2 I2]'
_cell_volume [200.8764]
_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  0.4794  0.2002  0.7564  1
  Pt  Pt1  2  0.2577  0.4194  0.0974  1
  I  I2  2  0.2247  0.7536  0.6976  1
]