data_[Na8Hf4Al4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8700]
_cell_length_b [19.8343]
_cell_length_c [15.1613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2HfAlTe5]
_chemical_formula_sum '[Na8 Hf4 Al4 Te20]'
_cell_volume [1163.7620]
_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
[
  Na  Na0  4  0.0000  0.1068  0.6613  1.0
  Na  Na1  4  0.0000  0.1187  0.3238  1.0
  Hf  Hf2  4  0.0000  0.2184  0.0386  1.0
  Al  Al3  4  0.0000  0.4264  0.4207  1.0
  Te  Te4  4  0.0000  0.0626  0.0382  1.0
  Te  Te5  4  0.0000  0.2846  0.6758  1.0
  Te  Te6  4  0.0000  0.2948  0.3922  1.0
  Te  Te7  4  0.0000  0.3575  0.9997  1.0
  Te  Te8  4  0.0000  0.4919  0.2736  1.0
]