data_[Tb4Al4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8365]
_cell_length_b [9.0524]
_cell_length_c [4.2781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbAlSe3]
_chemical_formula_sum '[Tb4 Al4 Se12]'
_cell_volume [497.0735]
_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  0.2367  0.0000  0.2608  1.0
  Al  Al1  4  0.0000  0.3080  0.5000  1.0
  Se  Se2  8  0.1449  0.1939  0.7545  1.0
  Se  Se3  4  0.1030  0.5000  0.2434  1.0
]