data_[K12Se2I4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.0508]
_cell_length_b [11.5314]
_cell_length_c [8.3528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [K6SeI2O]
_chemical_formula_sum '[K12 Se2 I4 O2]'
_cell_volume [775.4477]
_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  4  0.0000  0.2297  0.2273  1
  K  K1  4  0.2298  0.0000  0.0025  1
  K  K2  4  0.2413  0.0000  0.4487  1
  Se  Se3  2  0.0000  0.5000  0.2712  1
  I  I4  4  0.0000  0.2628  0.7775  1
  O  O5  2  0.0000  0.0000  0.2343  1
]