data_[Tb8Ti4Si8]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5921]
_cell_length_b [4.1352]
_cell_length_c [10.2650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2TiSi2]
_chemical_formula_sum '[Tb8 Ti4 Si8]'
_cell_volume [430.4552]
_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  4  0.0135  0.0000  0.6831  1.0
  Tb  Tb1  4  0.1856  0.0000  0.1047  1.0
  Ti  Ti2  4  0.2281  0.5000  0.3823  1.0
  Si  Si3  4  0.0027  0.5000  0.8830  1.0
  Si  Si4  4  0.1232  0.5000  0.5590  1.0
]