data_[K8Hf4Ge4Se20]
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
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9380]
_cell_length_b [19.8051]
_cell_length_c [14.1967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2HfGeSe5]
_chemical_formula_sum '[K8 Hf4 Ge4 Se20]'
_cell_volume [1107.2462]
_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  0.1239  0.3272  1
  K  K1  4  0.0000  0.1305  0.6824  1
  Hf  Hf2  4  0.0000  0.2109  0.0350  1
  Ge  Ge3  4  0.0000  0.4312  0.4171  1
  Se  Se4  4  0.0000  0.0587  0.0261  1
  Se  Se5  4  0.0000  0.3051  0.6569  1
  Se  Se6  4  0.0000  0.3102  0.3955  1
  Se  Se7  4  0.0000  0.3330  0.0041  1
  Se  Se8  4  0.0000  0.4909  0.2798  1
]