data_[Na6Tb2Sc4Se12]
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 [6.9602]
_cell_length_b [12.0597]
_cell_length_c [7.3524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Tb(ScSe3)2]
_chemical_formula_sum '[Na6 Tb2 Sc4 Se12]'
_cell_volume [585.4169]
_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  0.1639  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  4  0.0000  0.3328  0.0000  1.0
  Se  Se4  8  0.2475  0.1732  0.2221  1.0
  Se  Se5  4  0.2277  0.5000  0.2223  1.0
]