data_[Na8Sc4Nb4Si8S4O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  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 [15.5834]
_cell_length_b [9.0601]
_cell_length_c [9.1910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na2ScNbSi2SO12]
_chemical_formula_sum '[Na8 Sc4 Nb4 Si8 S4 O48]'
_cell_volume [1073.6390]
_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  0.1800  0.0512  0.7487  1
  Na  Na1  4  0.2557  0.2519  0.4826  1
  Sc  Sc2  4  0.0976  0.7566  0.5590  1
  Nb  Nb3  4  0.3936  0.2509  0.9374  1
  Si  Si4  4  0.0002  0.0422  0.2572  1
  Si  Si5  4  0.3545  0.1049  0.2536  1
  S  S6  4  0.1448  0.3935  0.7502  1
  O  O7  4  0.0502  0.3255  0.5922  1
  O  O8  4  0.0759  0.1471  0.2346  1
  O  O9  4  0.0763  0.0555  0.9299  1
  O  O10  4  0.1490  0.3655  0.9103  1
  O  O11  4  0.1536  0.4493  0.2279  1
  O  O12  4  0.2330  0.3121  0.7588  1
  O  O13  4  0.2537  0.1721  0.2375  1
  O  O14  4  0.3498  0.0803  0.7717  1
  O  O15  4  0.3534  0.1377  0.0712  1
  O  O16  4  0.4165  0.3575  0.7719  1
  O  O17  4  0.4337  0.5764  0.5866  1
  O  O18  4  0.4612  0.1649  0.4185  1
]