data_[Na2Nb1Tl1Cl8]
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
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3606]
_cell_length_b [6.7628]
_cell_length_c [9.1029]
_cell_angle_alpha [83.4797]
_cell_angle_beta [85.4222]
_cell_angle_gamma [85.6113]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2NbTlCl8]
_chemical_formula_sum '[Na2 Nb1 Tl1 Cl8]'
_cell_volume [386.8949]
_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  2  0.4268  0.4501  0.7022  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.2068  0.8322  0.1904  1.0
  Cl  Cl4  2  0.2202  0.2741  0.9771  1.0
  Cl  Cl5  2  0.2247  0.8467  0.8157  1.0
  Cl  Cl6  2  0.3081  0.3182  0.4623  1.0
]