data_[Tb3Ti18Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ti  1.5400  1.4000  0.8517
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5227]
_cell_length_b [5.5227]
_cell_length_c [21.5232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb(Ti3Ge2)2]
_chemical_formula_sum '[Tb3 Ti18 Ge12]'
_cell_volume [568.5198]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ti  Ti1  18  0.0014  0.5007  0.1044  1
  Ge  Ge2  6  0.0000  0.0000  0.1279  1
  Ge  Ge3  6  0.0000  0.0000  0.3330  1
]