data_[Na4Al4Te6S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.1970]
_cell_length_b [6.9871]
_cell_length_c [6.8164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na2Al2Te3S]
_chemical_formula_sum '[Na4 Al4 Te6 S2]'
_cell_volume [501.8919]
_cell_formula_units_Z [2]
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  0.1074  0.8452  0.3370  1
  Al  Al1  4  0.1163  0.3915  0.8816  1
  Te  Te2  4  0.2484  0.1376  0.2007  1
  Te  Te3  2  0.0000  0.1913  0.5000  1
  S  S4  2  0.0000  0.5602  0.0000  1
]