data_[Na4Li4Hf4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [14.4146]
_cell_length_b [4.1544]
_cell_length_c [11.3168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaLiHfTe3]
_chemical_formula_sum '[Na4 Li4 Hf4 Te12]'
_cell_volume [677.6864]
_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  0.2208  0.7500  0.0465  1
  Li  Li1  4  0.0115  0.2500  0.0901  1
  Hf  Hf2  4  0.0088  0.7500  0.3264  1
  Te  Te3  4  0.1050  0.7500  0.5617  1
  Te  Te4  4  0.1061  0.2500  0.8741  1
  Te  Te5  4  0.1402  0.2500  0.2632  1
]