data_[Na2Tb6Y4Se12]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9414]
_cell_length_b [4.0930]
_cell_length_c [8.2307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTb3(YSe3)2]
_chemical_formula_sum '[Na2 Tb6 Y4 Se12]'
_cell_volume [587.5631]
_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  0.1651  0.0000  0.8276  1.0
  Tb  Tb2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  4  0.1689  0.0000  0.3409  1.0
  Se  Se4  4  0.0020  0.0000  0.2526  1.0
  Se  Se5  4  0.1653  0.5000  0.5836  1.0
  Se  Se6  4  0.1680  0.5000  0.0838  1.0
]