data_[Cs4K2Sc2I12]
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
  Sc  1.3600  1.6000  0.8850
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.6392]
_cell_length_b [12.6107]
_cell_length_c [9.3128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2KScI6]
_chemical_formula_sum '[Cs4 K2 Sc2 I12]'
_cell_volume [1014.5922]
_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  0.2747  0.2074  1.0
  K  K1  2  0.0000  0.5000  0.7167  1.0
  Sc  Sc2  2  0.0000  0.0000  0.7769  1.0
  I  I3  4  0.0000  0.2301  0.7795  1.0
  I  I4  4  0.2339  0.0000  0.0034  1.0
  I  I5  4  0.2406  0.0000  0.5626  1.0
]