# generated using pymatgen
data_Ti5Al6ReRu12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29001620
_cell_length_b   6.05610388
_cell_length_c   12.84479701
_cell_angle_alpha   90.00001285
_cell_angle_beta   89.99983115
_cell_angle_gamma   89.99897613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Al6ReRu12
_chemical_formula_sum   'Ti5 Al6 Re1 Ru12'
_cell_volume   333.71789366
_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  0.49993368  0.00000309  0.16930992  1.0
  Ti  Ti1  1  0.99993681  0.50000281  0.33484558  1.0
  Ti  Ti2  1  0.50000023  0.99999984  0.50002174  1.0
  Ti  Ti3  1  0.00006315  0.49999738  0.66517503  1.0
  Ti  Ti4  1  0.50006823  0.99999665  0.83067123  1.0
  Al  Al5  1  0.00000042  0.99999928  0.99999341  1.0
  Al  Al6  1  0.49991848  0.50000302  0.16918054  1.0
  Al  Al7  1  0.99995234  0.00000160  0.33316747  1.0
  Al  Al8  1  0.50000039  0.49999991  0.50000963  1.0
  Al  Al9  1  0.00004431  0.99999857  0.66684204  1.0
  Al  Al10  1  0.50008320  0.49999691  0.83081048  1.0
  Re  Re11  1  0.00000027  0.49999952  0.99996909  1.0
  Ru  Ru12  1  0.50000121  0.25457761  0.99997646  1.0
  Ru  Ru13  1  0.50000002  0.74542211  0.99997670  1.0
  Ru  Ru14  1  0.99992247  0.25128481  0.16390409  1.0
  Ru  Ru15  1  0.99994807  0.74871913  0.16390549  1.0
  Ru  Ru16  1  0.49996649  0.24949300  0.33260476  1.0
  Ru  Ru17  1  0.49992395  0.75051226  0.33260506  1.0
  Ru  Ru18  1  0.99996218  0.24937524  0.50002740  1.0
  Ru  Ru19  1  0.00003808  0.75062502  0.50002828  1.0
  Ru  Ru20  1  0.50007372  0.24949021  0.66742068  1.0
  Ru  Ru21  1  0.50003242  0.75050413  0.66742101  1.0
  Ru  Ru22  1  0.00005159  0.25127092  0.83606625  1.0
  Ru  Ru23  1  0.00007927  0.74872197  0.83606767  1.0