[CIF]
data_TiAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33819098
_cell_length_b   6.33819098
_cell_length_c   4.31381926
_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   150.08013738
_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  -2.43378227  4.21543455  2.15690963  1
  Al  Al1  1  0.73531322  1.27359985  2.15690963  1
  Al  Al2  1  4.86756455  0.00000000  2.15690963  1
  Cu  Cu3  1  -1.34405415  2.32797008  0.00000000  1
  Cu  Cu4  1  1.82504134  3.16106432  0.00000000  1
  Cu  Cu5  1  2.68810830  0.00000000  0.00000000  1
  Ti  Ti6  1  3.16909549  1.82967813  2.15690963  1
  Ti  Ti7  1  0.00000000  3.65935627  2.15690963  1
  Ti  Ti8  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
