data_[Na12Ta4Zn8Si6S12O72]
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 [P3c1]
_cell_length_a [8.9299]
_cell_length_b [8.9299]
_cell_length_c [22.4036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [158]
_chemical_formula_structural [Na6Ta2Zn4Si3(SO6)6]
_chemical_formula_sum '[Na12 Ta4 Zn8 Si6 S12 O72]'
_cell_volume [1547.1956]
_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  6  0.0408  0.3610  0.4168  1
  Na  Na1  2  0.0000  0.0000  0.3219  1
  Na  Na2  2  0.3333  0.6667  0.4985  1
  Na  Na3  2  0.6667  0.3333  0.1570  1
  Ta  Ta4  2  0.0000  0.0000  0.4800  1
  Ta  Ta5  2  0.6667  0.3333  0.3170  1
  Zn  Zn6  2  0.0000  0.0000  0.1823  1
  Zn  Zn7  2  0.3333  0.6667  0.3511  1
  Zn  Zn8  2  0.3333  0.6667  0.6499  1
  Zn  Zn9  2  0.6667  0.3333  0.0082  1
  Si  Si10  6  0.3760  0.0408  0.9199  1
  S  S11  6  0.0024  0.2946  0.5861  1
  S  S12  6  0.0323  0.3678  0.2493  1
  O  O13  6  0.0052  0.1905  0.2444  1
  O  O14  6  0.0124  0.1955  0.5300  1
  O  O15  6  0.1162  0.4753  0.1965  1
  O  O16  6  0.1263  0.4444  0.3056  1
  O  O17  6  0.1528  0.4850  0.9061  1
  O  O18  6  0.1659  0.4621  0.5844  1
  O  O19  6  0.1885  0.0390  0.9268  1
  O  O20  6  0.2008  0.0093  0.6388  1
  O  O21  6  0.4617  0.1524  0.5819  1
  O  O22  6  0.4665  0.1780  0.8615  1
  O  O23  6  0.4985  0.1092  0.9764  1
  O  O24  6  0.4999  0.1465  0.2535  1
]