data_[Na12Hf4Al4Si8S4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  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 [15.5253]
_cell_length_b [8.9250]
_cell_length_c [8.9082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9772]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na3HfAlSi2SO12]
_chemical_formula_sum '[Na12 Hf4 Al4 Si8 S4 O48]'
_cell_volume [1023.6006]
_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  0.1693  0.0776  0.7295  1
  Na  Na1  4  0.2299  0.2681  0.4802  1
  Na  Na2  4  0.3026  0.4385  0.2204  1
  Hf  Hf3  4  0.4022  0.2575  0.9380  1
  Al  Al4  4  0.1003  0.2559  0.0577  1
  Si  Si5  4  0.0095  0.0434  0.2548  1
  Si  Si6  4  0.1461  0.4040  0.7628  1
  S  S7  4  0.3578  0.1087  0.2577  1
  O  O8  4  0.0418  0.3273  0.5899  1
  O  O9  4  0.0796  0.0686  0.9285  1
  O  O10  4  0.0866  0.1428  0.2235  1
  O  O11  4  0.1518  0.3620  0.9463  1
  O  O12  4  0.1536  0.4167  0.2359  1
  O  O13  4  0.2433  0.3179  0.7656  1
  O  O14  4  0.2725  0.1832  0.2573  1
  O  O15  4  0.3465  0.1296  0.0823  1
  O  O16  4  0.3467  0.0556  0.7732  1
  O  O17  4  0.4250  0.3505  0.7620  1
  O  O18  4  0.4281  0.4418  0.0751  1
  O  O19  4  0.4566  0.1699  0.4094  1
]