[CIF]
data_TiAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67596850
_cell_length_b   7.67596850
_cell_length_c   2.70299695
_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   'Ti3 Al3 Cu3'
_cell_volume   137.92486087
_cell_formula_units_Z   3
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  -2.65545049  4.59937516  1.35149848  1
  Al  Al1  1  1.18253376  2.04820856  1.35149848  1
  Al  Al2  1  5.31090097  0.00000000  1.35149848  1
  Cu  Cu3  1  -1.37137199  2.37528596  0.00000000  1
  Cu  Cu4  1  2.46661226  4.27229775  0.00000000  1
  Cu  Cu5  1  2.74274398  0.00000000  0.00000000  1
  Ti  Ti6  1  3.83798425  2.21586124  1.35149848  1
  Ti  Ti7  1  -0.00000000  4.43172248  1.35149848  1
  Ti  Ti8  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
