data_Ti2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.29
_cell_length_c   2.77
_cell_angle_alpha   78.36
_cell_angle_beta   76.29
_cell_angle_gamma   25.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Si
_chemical_formula_sum   'Ti2 Si1'
_cell_volume   45.92
_cell_formula_units_Z   1
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
  Ti  Ti1  1  0.87  0.04  0.9  1.0
  Ti  Ti2  1  0.87  0.04  0.11  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_Ti2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   6.29
_cell_angle_alpha   101.64
_cell_angle_beta   101.64
_cell_angle_gamma   94.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Si
_chemical_formula_sum   'Ti2 Si1'
_cell_volume   45.92
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.19  0.96  0.08  1.0
  Ti  Ti1  1  0.98  0.96  0.08  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

Ti Ti Si