data_[Na9Sc3Sb9Se24]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1065]
_cell_length_b [8.1065]
_cell_length_c [21.6704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3ScSb3Se8]
_chemical_formula_sum '[Na9 Sc3 Sb9 Se24]'
_cell_volume [1233.2984]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.5000  1.0
  Sc  Sc1  3  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  9  0.0000  0.5000  0.0000  1.0
  Se  Se3  18  0.0133  0.5067  0.7392  1.0
  Se  Se4  6  0.0000  0.0000  0.2559  1.0
]