data_Ti3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   23.11
_cell_angle_beta   23.11
_cell_angle_gamma   23.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Si2
_chemical_formula_sum   'Ti3 Si2'
_cell_volume   85.73
_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  Ti2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.81  1.0
  Ti  Ti4  1  0.0  0.0  0.27  1.0
  Si  Si0  1  0.0  0.0  0.92  1.0
  Si  Si1  1  0.0  0.0  0.16  1.0

data_Ti3Si2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   103.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti3Si2
_chemical_formula_sum   'Ti6 Si4'
_cell_volume   171.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.73  1.0
  Ti  Ti1  2  -0.0  0.0  0.19  1.0
  Ti  Ti2  2  0.0  0.0  0.0  1.0
  Si  Si3  2  -0.0  0.0  0.84  1.0
  Si  Si4  2  -0.0  0.0  0.08  1.0

Ti Ti Ti Si Si