data_[Na2Tb4Sc6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4642]
_cell_length_b [3.9591]
_cell_length_c [8.0403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTb2(ScSe2)3]
_chemical_formula_sum '[Na2 Tb4 Sc6 Se12]'
_cell_volume [538.7618]
_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  2  0.0000  0.5000  0.0000  1.0
  Tb  Tb1  4  0.1679  0.0000  0.3373  1.0
  Sc  Sc2  4  0.1659  0.0000  0.8231  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0026  0.0000  0.7390  1.0
  Se  Se5  4  0.1619  0.5000  0.5908  1.0
  Se  Se6  4  0.1709  0.5000  0.0723  1.0
]