data_[K8Na4Sr4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8952]
_cell_length_b [20.6054]
_cell_length_c [16.2553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2NaSrI5]
_chemical_formula_sum '[K8 Na4 Sr4 I20]'
_cell_volume [1639.6552]
_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  0.0000  0.0853  0.6569  1.0
  K  K1  4  0.0000  0.1284  0.3051  1.0
  Na  Na2  4  0.0000  0.4532  0.4460  1.0
  Sr  Sr3  4  0.0000  0.2265  0.0294  1.0
  I  I4  4  0.0000  0.0698  0.0579  1.0
  I  I5  4  0.0000  0.2618  0.6704  1.0
  I  I6  4  0.0000  0.2951  0.3945  1.0
  I  I7  4  0.0000  0.3827  0.9942  1.0
  I  I8  4  0.0000  0.4977  0.7696  1.0
]