data_Li2TiSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.71
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   93.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiSi
_chemical_formula_sum   'Li2 Ti1 Si1'
_cell_volume   60.8
_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
  Li  Li0  1  0.22  0.36  0.09  1.0
  Li  Li1  1  0.31  0.36  0.48  1.0
  Ti  Ti3  1  0.26  0.0  0.29  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_Li2TiSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.58
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiSi
_chemical_formula_sum   'Li2 Ti1 Si1'
_cell_volume   60.8
_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
  Li  Li0  1  0.69  0.52  0.64  1.0
  Li  Li1  1  0.78  0.91  0.64  1.0
  Ti  Ti2  1  0.74  0.71  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Li Li Ti Si