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 [3.9182]
_cell_length_b [19.7975]
_cell_length_c [15.0731]
_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 [1169.2210]
_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  0.1072  0.6611  1
  Na  Na1  4  0.0000  0.1194  0.3236  1
  Hf  Hf2  4  0.0000  0.2171  0.0389  1
  Al  Al3  4  0.0000  0.4254  0.4216  1
  Te  Te4  4  0.0000  0.0616  0.0377  1
  Te  Te5  4  0.0000  0.2837  0.6755  1
  Te  Te6  4  0.0000  0.2936  0.3928  1
  Te  Te7  4  0.0000  0.3572  0.9992  1
  Te  Te8  4  0.0000  0.4922  0.2736  1
]