# generated using pymatgen
data_Ti(AlCu)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44642039
_cell_length_b   6.44642044
_cell_length_c   6.44642073
_cell_angle_alpha   134.78745858
_cell_angle_beta   98.96159753
_cell_angle_gamma   98.03330148
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(AlCu)6
_chemical_formula_sum   'Ti1 Al6 Cu6'
_cell_volume   175.51232049
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.65919740  0.65919740  1.00000000  1.0
  Al  Al2  1  0.34080260  0.34080260  0.00000000  1.0
  Al  Al3  1  0.34048432  0.00000000  0.34048432  1.0
  Al  Al4  1  0.65951568  1.00000000  0.65951568  1.0
  Al  Al5  1  0.17888858  0.67888858  0.50000000  1.0
  Al  Al6  1  0.82111142  0.32111142  0.50000000  1.0
  Cu  Cu7  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu8  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu9  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu10  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu11  1  0.76175225  0.50000000  0.26175225  1.0
  Cu  Cu12  1  0.23824775  0.50000000  0.73824775  1.0