data_[Tm4Ti6Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0069]
_cell_length_b [6.9900]
_cell_length_c [6.8066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm2Ti3Si4]
_chemical_formula_sum '[Tm4 Ti6 Si8]'
_cell_volume [315.3282]
_cell_formula_units_Z [2]
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
[
  Tm  Tm0  4  0.1896  0.6692  0.5669  1
  Ti  Ti1  4  0.2556  0.1778  0.7490  1
  Ti  Ti2  2  0.5000  0.0000  0.5000  1
  Si  Si3  4  0.0837  0.0384  0.3690  1
  Si  Si4  4  0.4949  0.6253  0.3689  1
]