data_[Na4V2Te6]
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-1]
_cell_length_a [7.1812]
_cell_length_b [7.2005]
_cell_length_c [7.9092]
_cell_angle_alpha [81.0056]
_cell_angle_beta [72.0335]
_cell_angle_gamma [60.7421]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2VTe3]
_chemical_formula_sum '[Na4 V2 Te6]'
_cell_volume [339.3926]
_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  0.1238  0.7098  0.4984  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Na  Na2  1  0.5000  0.0000  0.5000  1.0
  V  V3  2  0.3465  0.3532  0.9991  1.0
  Te  Te4  2  0.0675  0.3819  0.7977  1.0
  Te  Te5  2  0.3108  0.9994  0.1998  1.0
  Te  Te6  2  0.4582  0.6198  0.7677  1.0
]