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 [11.1874]
_cell_length_b [4.0384]
_cell_length_c [10.9642]
_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 [495.3484]
_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  0.0128  0.2500  0.8126  1
  Tb  Tb1  4  0.1940  0.2500  0.4985  1
  Se  Se2  4  0.0444  0.7500  0.6251  1
  Se  Se3  4  0.1194  0.2500  0.0560  1
  Se  Se4  4  0.2269  0.7500  0.3029  1
]