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 [Cm]
_cell_length_a [9.9238]
_cell_length_b [4.1350]
_cell_length_c [10.3713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KPtI]
_chemical_formula_sum '[K4 Pt4 I4]'
_cell_volume [410.1548]
_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  0.0240  0.5000  0.5872  1
  K  K1  2  0.3061  0.5000  0.1688  1
  Pt  Pt2  2  0.1276  0.0000  0.8625  1
  Pt  Pt3  2  0.2950  0.5000  0.8564  1
  I  I4  2  0.1628  0.0000  0.3726  1
  I  I5  2  0.4750  0.0000  0.9194  1
]