data_Ti2AlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.0
_cell_angle_alpha   96.36
_cell_angle_beta   96.36
_cell_angle_gamma   33.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlW
_chemical_formula_sum   'Ti2 Al1 W1'
_cell_volume   64.68
_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  0.97  0.0  0.76  1.0
  Ti  Ti2  1  0.78  0.0  0.2  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.37  0.0  0.48  1.0

data_Ti2AlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.87
_cell_length_c   5.0
_cell_angle_alpha   96.36
_cell_angle_beta   90.0
_cell_angle_gamma   106.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlW
_chemical_formula_sum   'Ti2 Al1 W1'
_cell_volume   64.68
_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  0.03  0.24  1.0
  Ti  Ti1  1  0.0  0.22  0.8  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.63  0.52  1.0

Ti Ti Al W