data_[K2Hf2Zn2Te6]
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
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6551]
_cell_length_b [4.2030]
_cell_length_c [10.2106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHfZnTe3]
_chemical_formula_sum '[K2 Hf2 Zn2 Te6]'
_cell_volume [387.7977]
_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  2  0.1842  0.7500  0.2393  1.0
  Hf  Hf1  2  0.3639  0.2500  0.8775  1.0
  Zn  Zn2  2  0.0763  0.7500  0.5968  1.0
  Te  Te3  2  0.1407  0.7500  0.8693  1.0
  Te  Te4  2  0.2297  0.2500  0.5506  1.0
  Te  Te5  2  0.4564  0.2500  0.1764  1.0
]