data_[Tb12Al4Se24]
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 [Cmc2_1]
_cell_length_a [11.2316]
_cell_length_b [13.9804]
_cell_length_c [6.7830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3AlSe6]
_chemical_formula_sum '[Tb12 Al4 Se24]'
_cell_volume [1065.0865]
_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  8  0.1834  0.0983  0.4855  1
  Tb  Tb1  4  0.0000  0.4031  0.3860  1
  Al  Al2  4  0.0000  0.2018  0.0238  1
  Se  Se3  8  0.1628  0.4669  0.6844  1
  Se  Se4  8  0.1670  0.2671  0.1999  1
  Se  Se5  4  0.0000  0.0409  0.1655  1
  Se  Se6  4  0.0000  0.2183  0.6705  1
]