data_[Na4Zr4Ta4Si8S4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  1.4500  0.8200
  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 [15.4789]
_cell_length_b [8.9535]
_cell_length_c [9.2984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaZrTaSi2SO12]
_chemical_formula_sum '[Na4 Zr4 Ta4 Si8 S4 O48]'
_cell_volume [1068.8601]
_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  0.2538  0.2359  0.4939  1
  Zr  Zr1  4  0.1011  0.2339  0.0656  1
  Ta  Ta2  4  0.3915  0.2493  0.9354  1
  Si  Si3  4  0.3572  0.1035  0.2522  1
  Si  Si4  4  0.4947  0.4590  0.7483  1
  S  S5  4  0.1441  0.3905  0.7492  1
  O  O6  4  0.0500  0.3233  0.5908  1
  O  O7  4  0.0698  0.0594  0.9182  1
  O  O8  4  0.0734  0.1532  0.2372  1
  O  O9  4  0.1461  0.3653  0.9056  1
  O  O10  4  0.1521  0.4493  0.2271  1
  O  O11  4  0.2362  0.3139  0.7640  1
  O  O12  4  0.2580  0.1844  0.2337  1
  O  O13  4  0.3543  0.0800  0.7756  1
  O  O14  4  0.3606  0.1381  0.0787  1
  O  O15  4  0.4154  0.6417  0.2745  1
  O  O16  4  0.4289  0.4279  0.0788  1
  O  O17  4  0.4627  0.1652  0.4210  1
]