data_[Tb12Al8Ge12]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1779]
_cell_length_b [11.2330]
_cell_length_c [14.6033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb3Al2Ge3]
_chemical_formula_sum '[Tb12 Al8 Ge12]'
_cell_volume [685.3353]
_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  0.0000  0.0615  0.6145  1.0
  Tb  Tb1  4  0.0000  0.3522  0.7500  1.0
  Al  Al2  8  0.0000  0.2226  0.1038  1.0
  Ge  Ge3  8  0.0000  0.3828  0.5395  1.0
  Ge  Ge4  4  0.0000  0.3668  0.2500  1.0
]