[CIF]
data_Ti2AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86174150
_cell_length_b   3.71429539
_cell_length_c   5.74956962
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlCu
_chemical_formula_sum   'Ti2 Al1 Cu1'
_cell_volume   61.11420659
_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
  Al  Al0  1  0.00000000  0.00000000  2.92748761  1
  Cu  Cu1  1  1.43087075  1.85714770  4.24491950  1
  Ti  Ti2  1  0.00000000  0.00000000  0.00786334  1
  Ti  Ti3  1  1.43087075  1.85714770  1.44408398  1
[/CIF]
