data_Ti2VSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   135.24
_cell_angle_beta   135.24
_cell_angle_gamma   65.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VSi
_chemical_formula_sum   'Ti2 V1 Si1'
_cell_volume   59.32
_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  0.89  0.0  0.09  1.0
  Ti  Ti2  1  0.0  0.0  0.17  1.0
  V  V3  1  0.0  0.89  0.09  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_Ti2VSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   4.95
_cell_angle_alpha   112.38
_cell_angle_beta   112.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VSi
_chemical_formula_sum   'Ti2 V1 Si1'
_cell_volume   59.32
_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  0.09  0.2  0.2  1.0
  Ti  Ti1  1  0.17  0.17  0.17  1.0
  V  V2  1  0.2  0.09  0.2  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Ti Ti V Si