data_[K4Te4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6601]
_cell_length_b [7.8438]
_cell_length_c [12.0083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KTeI5]
_chemical_formula_sum '[K4 Te4 I20]'
_cell_volume [1452.8145]
_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  0.4977  0.7500  1.0
  Te  Te1  4  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.1115  0.3087  0.0581  1.0
  I  I3  8  0.1552  0.2201  0.5830  1.0
  I  I4  4  0.0000  0.0028  0.2500  1.0
]