data_[Tb2Ce6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0812]
_cell_length_b [7.8345]
_cell_length_c [12.7009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb(CeSe2)3]
_chemical_formula_sum '[Tb2 Ce6 Se12]'
_cell_volume [589.4981]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  4  0.2051  0.1030  0.7481  1.0
  Ce  Ce2  2  0.5000  0.0000  0.5000  1.0
  Se  Se3  4  0.0916  0.1847  0.4227  1.0
  Se  Se4  4  0.2465  0.6810  0.4208  1.0
  Se  Se5  4  0.4037  0.0610  0.2460  1.0
]