data_[Na9Li3Te9S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6971]
_cell_length_b [7.6971]
_cell_length_c [20.5536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3LiTe3S8]
_chemical_formula_sum '[Na9 Li3 Te9 S24]'
_cell_volume [1054.5663]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1
  Li  Li1  3  -0.0000  -0.0000  0.0000  1
  Te  Te2  9  0.0000  0.5000  0.0000  1
  S  S3  18  0.0007  0.5003  0.7381  1
  S  S4  6  0.0000  0.0000  0.2569  1
]