data_[Na4Nb2Te6]
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-1]
_cell_length_a [7.2142]
_cell_length_b [7.2290]
_cell_length_c [7.9705]
_cell_angle_alpha [81.7390]
_cell_angle_beta [72.1177]
_cell_angle_gamma [60.8424]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2NbTe3]
_chemical_formula_sum '[Na4 Nb2 Te6]'
_cell_volume [345.4555]
_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  0.1121  0.7114  0.4910  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Na  Na2  1  0.5000  0.0000  0.5000  1.0
  Nb  Nb3  2  0.3664  0.3702  0.0029  1.0
  Te  Te4  2  0.0706  0.3769  0.7978  1.0
  Te  Te5  2  0.3079  0.0014  0.1991  1.0
  Te  Te6  2  0.4442  0.6360  0.7442  1.0
]