data_[Tb8Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.2116]
_cell_length_b [4.0500]
_cell_length_c [11.0242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb2Se3]
_chemical_formula_sum '[Tb8 Se12]'
_cell_volume [500.5717]
_cell_formula_units_Z [4]
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  4  0.0126  0.7500  0.6874  1.0
  Tb  Tb1  4  0.1938  0.7500  0.0014  1.0
  Se  Se2  4  0.0445  0.2500  0.8746  1.0
  Se  Se3  4  0.1190  0.7500  0.4440  1.0
  Se  Se4  4  0.2268  0.2500  0.1959  1.0
]