data_[Na4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0689]
_cell_length_b [5.0689]
_cell_length_c [11.7722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [NaTe]
_chemical_formula_sum '[Na4 Te4]'
_cell_volume [261.9505]
_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  0.0000  0.0000  1.0
  Na  Na1  2  0.3333  0.6667  0.7500  1.0
  Te  Te2  4  0.3333  0.6667  0.1285  1.0
]