data_[Cs4K2Nb2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.5878]
_cell_length_b [12.4916]
_cell_length_c [9.1981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2KNbI6]
_chemical_formula_sum '[Cs4 K2 Nb2 I12]'
_cell_volume [986.7287]
_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
[
  Cs  Cs0  4  0.0000  0.2699  0.2149  1.0
  K  K1  2  0.0000  0.5000  0.7183  1.0
  Nb  Nb2  2  0.0000  0.0000  0.7773  1.0
  I  I3  4  0.0000  0.2297  0.7776  1.0
  I  I4  4  0.2336  0.0000  0.0012  1.0
  I  I5  4  0.2377  0.0000  0.5592  1.0
]