data_Ti2SiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   139.37
_cell_angle_beta   129.02
_cell_angle_gamma   67.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiW
_chemical_formula_sum   'Ti2 Si1 W1'
_cell_volume   61.14
_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  0.0  0.14  0.03  1.0
  Ti  Ti2  1  0.73  0.0  0.11  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.14  1.0

data_Ti2SiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.28
_cell_length_c   4.97
_cell_angle_alpha   115.49
_cell_angle_beta   110.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiW
_chemical_formula_sum   'Ti2 Si1 W1'
_cell_volume   61.14
_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  0.0  0.11  0.39  1.0
  Ti  Ti1  1  0.86  0.89  0.89  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.14  0.14  1.0

Ti Ti Si W