data_[Na1V3Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.8086]
_cell_length_b [3.8086]
_cell_length_c [21.3342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na(VTe2)3]
_chemical_formula_sum '[Na1 V3 Te6]'
_cell_volume [268.0003]
_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
  V  V1  2  0.0000  0.0000  0.3137  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  Te  Te3  2  0.3333  0.6667  0.2391  1.0
  Te  Te4  2  0.3333  0.6667  0.6088  1.0
  Te  Te5  2  0.3333  0.6667  0.9234  1.0
]