data_[Na1Nb3Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.7271]
_cell_length_b [3.7271]
_cell_length_c [22.7121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na(NbTe2)3]
_chemical_formula_sum '[Na1 Nb3 Te6]'
_cell_volume [273.2387]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Nb  Nb1  2  0.0000  0.0000  0.3146  1.0
  Nb  Nb2  1  0.0000  0.0000  0.0000  1.0
  Te  Te3  2  0.3333  0.6667  0.2341  1.0
  Te  Te4  2  0.3333  0.6667  0.6047  1.0
  Te  Te5  2  0.3333  0.6667  0.9194  1.0
]