data_[Na4Sc20Se32]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.3961]
_cell_length_b [11.3961]
_cell_length_c [11.3961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [NaSc5Se8]
_chemical_formula_sum '[Na4 Sc20 Se32]'
_cell_volume [1480.0212]
_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  0.2500  0.2500  0.7500  1.0
  Sc  Sc1  16  0.1194  0.1194  0.3806  1.0
  Sc  Sc2  4  0.0000  0.0000  0.0000  1.0
  Se  Se3  16  0.1133  0.1133  0.6133  1.0
  Se  Se4  16  0.1325  0.1325  0.1325  1.0
]