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 [C2/m]
_cell_length_a [7.1580]
_cell_length_b [12.3831]
_cell_length_c [7.1001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Se3]
_chemical_formula_sum '[Tb8 Se12]'
_cell_volume [593.2781]
_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  0.0000  0.3319  0.5000  1.0
  Tb  Tb1  2  0.0000  0.0000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.5000  0.0000  1.0
  Se  Se3  8  0.2488  0.3371  0.2566  1.0
  Se  Se4  4  0.2397  0.5000  0.7450  1.0
]