[CIF]
data_Ti3AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23601518
_cell_length_b   6.23601518
_cell_length_c   6.23601518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3AlCu
_chemical_formula_sum   'Ti9 Al3 Cu3'
_cell_volume   242.50544321
_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  3.11800759  0.00000000  0.00000000  1
  Al  Al1  1  0.00000000  3.11800759  0.00000000  1
  Al  Al2  1  0.00000000  0.00000000  3.11800759  1
  Cu  Cu3  1  0.00000000  3.11800759  3.11800759  1
  Cu  Cu4  1  3.11800759  0.00000000  3.11800759  1
  Cu  Cu5  1  3.11800759  3.11800759  0.00000000  1
  Ti  Ti6  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti7  1  4.61120085  4.61120085  4.61120085  1
  Ti  Ti8  1  1.62481433  1.62481433  4.61120085  1
  Ti  Ti9  1  1.62481433  4.61120085  1.62481433  1
  Ti  Ti10  1  4.61120085  1.62481433  1.62481433  1
  Ti  Ti11  1  4.61120085  4.61120085  1.62481433  1
  Ti  Ti12  1  1.62481433  1.62481433  1.62481433  1
  Ti  Ti13  1  4.61120085  1.62481433  4.61120085  1
  Ti  Ti14  1  1.62481433  4.61120085  4.61120085  1
[/CIF]
