data_[Na2Al2Te4]
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 [P-42m]
_cell_length_a [7.4831]
_cell_length_b [7.4831]
_cell_length_c [6.5514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [111]
_chemical_formula_structural [NaAlTe2]
_chemical_formula_sum '[Na2 Al2 Te4]'
_cell_volume [366.8562]
_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  2  0.0000  0.5000  0.0000  1.0
  Al  Al1  1  0.5000  0.5000  0.0000  1.0
  Al  Al2  1  0.5000  0.5000  0.5000  1.0
  Te  Te3  4  0.3026  0.6974  0.7484  1.0
]