data_[Tb6Ti6]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3453]
_cell_length_b [4.9697]
_cell_length_c [9.0974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbTi]
_chemical_formula_sum '[Tb6 Ti6]'
_cell_volume [286.7754]
_cell_formula_units_Z [6]
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  2  0.1351  0.2500  0.0409  1
  Tb  Tb1  2  0.2476  0.7500  0.2777  1
  Tb  Tb2  2  0.3649  0.7500  0.8657  1
  Ti  Ti3  2  0.0261  0.7500  0.5889  1
  Ti  Ti4  2  0.2442  0.2500  0.6622  1
  Ti  Ti5  2  0.4988  0.2500  0.4286  1
]