data_[Na12Ta12Zn12Si12S24O144]
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
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.2156]
_cell_length_b [8.8572]
_cell_length_c [22.7982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaTaZnSi(SO6)2]
_chemical_formula_sum '[Na12 Ta12 Zn12 Si12 S24 O144]'
_cell_volume [3072.2025]
_cell_formula_units_Z [12]
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  0.1777  0.4975  0.8245  1
  Na  Na1  4  0.3411  0.0113  0.6593  1
  Na  Na2  4  0.4956  0.4876  0.4919  1
  Ta  Ta3  4  0.1668  0.4987  0.9793  1
  Ta  Ta4  4  0.3328  0.0035  0.3127  1
  Ta  Ta5  4  0.4958  0.4847  0.6457  1
  Zn  Zn6  4  0.1671  0.4947  0.6848  1
  Zn  Zn7  4  0.3436  0.0185  0.5196  1
  Zn  Zn8  4  0.4844  0.4919  0.3519  1
  Si  Si9  4  0.0224  0.3663  0.0874  1
  Si  Si10  4  0.3361  0.2942  0.4190  1
  Si  Si11  4  0.3472  0.3548  0.7516  1
  S  S12  4  0.1428  0.1410  0.2532  1
  S  S13  4  0.1650  0.2075  0.5839  1
  S  S14  4  0.1904  0.1432  0.9183  1
  S  S15  4  0.3122  0.3510  0.0837  1
  S  S16  4  0.4788  0.1462  0.9180  1
  S  S17  4  0.4999  0.2116  0.2517  1
  O  O18  4  0.0132  0.1990  0.8042  1
  O  O19  4  0.0165  0.1706  0.0922  1
  O  O20  4  0.0663  0.4397  0.4230  1
  O  O21  4  0.0716  0.3955  0.7455  1
  O  O22  4  0.0719  0.4206  0.1445  1
  O  O23  4  0.0782  0.1235  0.5882  1
  O  O24  4  0.0845  0.3935  0.0272  1
  O  O25  4  0.0930  0.1040  0.3048  1
  O  O26  4  0.1015  0.0698  0.1977  1
  O  O27  4  0.1034  0.0799  0.9078  1
  O  O28  4  0.1535  0.3108  0.5298  1
  O  O29  4  0.1576  0.3008  0.2458  1
  O  O30  4  0.1815  0.2967  0.6359  1
  O  O31  4  0.1831  0.3168  0.9221  1
  O  O32  4  0.2322  0.0877  0.9712  1
  O  O33  4  0.2326  0.0608  0.2559  1
  O  O34  4  0.2353  0.0984  0.5751  1
  O  O35  4  0.2427  0.3992  0.4249  1
  O  O36  4  0.2478  0.1190  0.8641  1
  O  O37  4  0.2516  0.4228  0.7408  1
  O  O38  4  0.2641  0.3819  0.1364  1
  O  O39  4  0.2716  0.4295  0.0298  1
  O  O40  4  0.3200  0.1807  0.3590  1
  O  O41  4  0.3226  0.1910  0.0727  1
  O  O42  4  0.3419  0.1926  0.4751  1
  O  O43  4  0.3446  0.1651  0.7585  1
  O  O44  4  0.3949  0.4194  0.8073  1
  O  O45  4  0.4037  0.4251  0.0882  1
  O  O46  4  0.4143  0.1170  0.2569  1
  O  O47  4  0.4143  0.3885  0.6919  1
  O  O48  4  0.4194  0.4027  0.4144  1
  O  O49  4  0.4247  0.0698  0.5824  1
  O  O50  4  0.4262  0.1240  0.9698  1
  O  O51  4  0.4355  0.0748  0.8640  1
  O  O52  4  0.4850  0.3065  0.1977  1
  O  O53  4  0.4995  0.3041  0.9090  1
]