data_[Na4Ta4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4770]
_cell_length_b [6.8988]
_cell_length_c [18.9982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTaCl6]
_chemical_formula_sum '[Na4 Ta4 Cl24]'
_cell_volume [848.8081]
_cell_formula_units_Z [4]
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  0.2103  0.6904  0.7520  1
  Ta  Ta1  4  0.2572  0.2164  0.1141  1
  Cl  Cl2  4  0.0431  0.5373  0.3451  1
  Cl  Cl3  4  0.0782  0.5044  0.1547  1
  Cl  Cl4  4  0.1129  0.2475  0.5044  1
  Cl  Cl5  4  0.3788  0.1873  0.2384  1
  Cl  Cl6  4  0.4128  0.5774  0.5907  1
  Cl  Cl7  4  0.4524  0.6018  0.9088  1
]