[CIF]
data_TiAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30953582
_cell_length_b   4.30953582
_cell_length_c   5.44533098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlCu
_chemical_formula_sum   'Ti2 Al2 Cu2'
_cell_volume   87.58221069
_cell_formula_units_Z   2
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
  Al  Al0  1  0.00000000  0.00000000  0.00000000  1
  Al  Al1  1  0.00000000  0.00000000  2.72266549  1
  Cu  Cu2  1  2.15476791  1.24405583  1.36133274  1
  Cu  Cu3  1  -0.00000000  2.48811166  4.08399823  1
  Ti  Ti4  1  2.15476791  1.24405583  4.08399823  1
  Ti  Ti5  1  -0.00000000  2.48811166  1.36133274  1
[/CIF]
