data_[K4Sr4Cd4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6956]
_cell_length_b [13.9397]
_cell_length_c [11.7392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KSrCdI5]
_chemical_formula_sum '[K4 Sr4 Cd4 I20]'
_cell_volume [1594.3450]
_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  0.3498  0.2500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.3199  0.7500  1.0
  I  I3  8  0.1334  0.2109  0.6291  1.0
  I  I4  8  0.1742  0.4444  0.9441  1.0
  I  I5  4  0.0000  0.0969  0.2500  1.0
]