data_[Tb4Ti4]
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 [P-6m2]
_cell_length_a [6.7072]
_cell_length_b [6.7072]
_cell_length_c [4.9578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TbTi]
_chemical_formula_sum '[Tb4 Ti4]'
_cell_volume [193.1512]
_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  3  0.3435  0.1718  0.5000  1
  Tb  Tb1  1  0.0000  0.0000  0.0000  1
  Ti  Ti2  3  0.0605  0.5303  0.0000  1
  Ti  Ti3  1  0.3333  0.6667  0.5000  1
]