data_[K4Hf4Cd2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2429]
_cell_length_b [12.9967]
_cell_length_c [8.7958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Hf2CdTe6]
_chemical_formula_sum '[K4 Hf4 Cd2 Te12]'
_cell_volume [796.3347]
_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
[
  K  K0  4  0.0000  0.1558  0.0000  1.0
  Hf  Hf1  4  0.0000  0.3275  0.5000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2449  0.1767  0.7023  1.0
  Te  Te4  4  0.2169  0.5000  0.6880  1.0
]