data_[K4Cu4Te4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  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 [10.3340]
_cell_length_b [12.5267]
_cell_length_c [11.9657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCuTeI5]
_chemical_formula_sum '[K4 Cu4 Te4 I20]'
_cell_volume [1435.9258]
_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  0.4135  0.7500  1
  Cu  Cu1  4  0.0000  0.0493  0.7500  1
  Te  Te2  4  0.2500  0.2500  0.5000  1
  I  I3  8  0.0207  0.1800  0.5824  1
  I  I4  8  0.2396  0.0346  0.3812  1
  I  I5  4  0.0000  0.3086  0.2500  1
]