data_[Na12La4Hf4Si8S4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Hf  1.3000  1.5500  0.8500
  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 [16.2048]
_cell_length_b [9.4915]
_cell_length_c [9.5022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na3LaHfSi2SO12]
_chemical_formula_sum '[Na12 La4 Hf4 Si8 S4 O48]'
_cell_volume [1200.4845]
_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  0.1899  0.0638  0.1003  1
  Na  Na1  4  0.2697  0.2310  0.5314  1
  Na  Na2  4  0.3314  0.4335  0.8965  1
  La  La3  4  0.4058  0.2351  0.3573  1
  Hf  Hf4  4  0.0924  0.2359  0.6283  1
  Si  Si5  4  0.3376  0.1147  0.9409  1
  Si  Si6  4  0.4991  0.4522  0.7570  1
  S  S7  4  0.1548  0.4197  0.0436  1
  O  O8  4  0.0664  0.3570  0.0277  1
  O  O9  4  0.0668  0.0658  0.7226  1
  O  O10  4  0.0848  0.8620  0.9344  1
  O  O11  4  0.1530  0.4238  0.5578  1
  O  O12  4  0.1568  0.3823  0.8936  1
  O  O13  4  0.2422  0.3635  0.2078  1
  O  O14  4  0.2505  0.2069  0.7676  1
  O  O15  4  0.3198  0.1387  0.0897  1
  O  O16  4  0.3209  0.0522  0.3903  1
  O  O17  4  0.4231  0.6459  0.0927  1
  O  O18  4  0.4335  0.4579  0.3035  1
  O  O19  4  0.4513  0.1823  0.0070  1
]