# generated using pymatgen
data_TiAlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99549099
_cell_length_b   5.08824869
_cell_length_c   8.09141000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.62260967
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlCu
_chemical_formula_sum   'Ti4 Al4 Cu4'
_cell_volume   176.98739101
_cell_formula_units_Z   4
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  0.66822200  0.33410900  0.55745500  1.0
  Ti  Ti1  1  0.32691700  0.66344700  0.43099700  1.0
  Ti  Ti2  1  0.32691700  0.66344700  0.06900300  1.0
  Ti  Ti3  1  0.66822200  0.33410900  0.94254500  1.0
  Al  Al4  1  0.98817000  0.99408300  0.48865900  1.0
  Al  Al5  1  0.98817000  0.99408300  0.01134100  1.0
  Al  Al6  1  0.18289500  0.34811800  0.75000000  1.0
  Al  Al7  1  0.18289800  0.83477100  0.75000000  1.0
  Cu  Cu8  1  0.67140100  0.83569100  0.75000000  1.0
  Cu  Cu9  1  0.82692300  0.65189100  0.25000000  1.0
  Cu  Cu10  1  0.82691700  0.17506500  0.25000000  1.0
  Cu  Cu11  1  0.34234700  0.17118600  0.25000000  1.0