data_[K4Pt4I12]
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 [Pnma]
_cell_length_a [11.8539]
_cell_length_b [8.9411]
_cell_length_c [7.3577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KPtI3]
_chemical_formula_sum '[K4 Pt4 I12]'
_cell_volume [779.8207]
_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  4  0.1067  0.2500  0.6345  1.0
  Pt  Pt1  4  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1475  0.5118  0.2677  1.0
  I  I3  4  0.0856  0.7500  0.8613  1.0
]