data_[Na6Sc2Sb4Se12]
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 [C2/m]
_cell_length_a [7.1036]
_cell_length_b [12.3182]
_cell_length_c [7.3861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Sc(SbSe3)2]
_chemical_formula_sum '[Na6 Sc2 Sb4 Se12]'
_cell_volume [611.9013]
_cell_formula_units_Z [2]
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  0.0000  0.1741  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  4  0.0000  0.3345  0.0000  1.0
  Se  Se4  8  0.2346  0.1596  0.2250  1.0
  Se  Se5  4  0.2437  0.0000  0.7738  1.0
]