data_[Na4Al4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.5449]
_cell_length_b [15.4188]
_cell_length_c [7.4706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaAlTe2]
_chemical_formula_sum '[Na4 Al4 Te8]'
_cell_volume [753.9019]
_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  2  0.0000  0.2629  0.5000  1.0
  Na  Na1  2  0.0000  0.5163  0.0000  1.0
  Al  Al2  2  0.0000  0.2637  0.0000  1.0
  Al  Al3  2  0.0000  0.7724  0.0000  1.0
  Te  Te4  4  0.2399  0.6718  0.8041  1.0
  Te  Te5  4  0.2429  0.3643  0.8026  1.0
]