data_[Na6Li6Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [18.8340]
_cell_length_b [13.6106]
_cell_length_c [8.6117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [NaLiTe]
_chemical_formula_sum '[Na6 Li6 Te6]'
_cell_volume [2207.5533]
_cell_formula_units_Z [6]
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  0.3982  0.6681  0.0190  1
  Na  Na1  2  0.5000  0.0000  0.0641  1
  Li  Li2  4  0.4565  0.1832  0.5292  1
  Li  Li3  2  0.5000  0.0000  0.7134  1
  Te  Te4  4  0.4829  0.6785  0.3333  1
  Te  Te5  2  0.5000  0.0000  0.4089  1
]