data_[Na4Ta2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.4157]
_cell_length_b [10.3173]
_cell_length_c [8.5698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Na2TaTe3]
_chemical_formula_sum '[Na4 Ta2 Te6]'
_cell_volume [1716.6888]
_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  4  0.4349  0.1878  0.8270  1
  Ta  Ta1  2  0.5000  0.0000  0.3823  1
  Te  Te2  4  0.3863  0.0651  0.5208  1
  Te  Te3  2  0.5000  0.0000  0.0810  1
]