# generated using pymatgen
data_Ti3Al3(Cu2Ru)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24658551
_cell_length_b   6.05620787
_cell_length_c   12.69819199
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99936852
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Al3(Cu2Ru)2
_chemical_formula_sum   'Ti6 Al6 Cu8 Ru4'
_cell_volume   326.57469963
_cell_formula_units_Z   2
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  0.00003415  0.00000000  0.99989019  1.0
  Ti  Ti1  1  0.49988111  0.49999900  0.17092430  1.0
  Ti  Ti2  1  0.99985073  0.00000000  0.32907288  1.0
  Ti  Ti3  1  0.50004626  0.49999900  0.50012120  1.0
  Ti  Ti4  1  0.00010806  0.00000000  0.67006303  1.0
  Ti  Ti5  1  0.50010430  0.49999900  0.82992787  1.0
  Al  Al6  1  0.00000893  0.49999900  0.00089348  1.0
  Al  Al7  1  0.49986937  0.00000000  0.16237280  1.0
  Al  Al8  1  0.99985173  0.49999900  0.33760965  1.0
  Al  Al9  1  0.50003433  0.00000000  0.49909639  1.0
  Al  Al10  1  0.00010324  0.49999900  0.66648601  1.0
  Al  Al11  1  0.50009188  0.00000000  0.83351787  1.0
  Cu  Cu12  1  0.50006470  0.25717294  0.99739760  1.0
  Cu  Cu13  1  0.50006470  0.74282806  0.99739760  1.0
  Cu  Cu14  1  0.99984339  0.25844890  0.16911676  1.0
  Cu  Cu15  1  0.99984339  0.74154910  0.16911676  1.0
  Cu  Cu16  1  0.49979426  0.24154773  0.33092575  1.0
  Cu  Cu17  1  0.49979426  0.75845127  0.33092575  1.0
  Cu  Cu18  1  0.00009204  0.24284991  0.50259311  1.0
  Cu  Cu19  1  0.00009204  0.75715009  0.50259311  1.0
  Ru  Ru20  1  0.50011049  0.25263193  0.66313812  1.0
  Ru  Ru21  1  0.50011049  0.74736707  0.66313812  1.0
  Ru  Ru22  1  0.00010258  0.24736964  0.83684182  1.0
  Ru  Ru23  1  0.00010258  0.75262836  0.83684182  1.0