# generated using pymatgen
data_TiMn5(AlRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22043034
_cell_length_b   5.96698316
_cell_length_c   12.65719334
_cell_angle_alpha   89.99985154
_cell_angle_beta   90.00067960
_cell_angle_gamma   89.99961343
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn5(AlRu2)6
_chemical_formula_sum   'Ti1 Mn5 Al6 Ru12'
_cell_volume   318.74909633
_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  0.00000433  0.49999656  0.00000046  1.0
  Mn  Mn1  1  0.49996165  0.99999169  0.16738826  1.0
  Mn  Mn2  1  0.99992720  0.50000207  0.33390215  1.0
  Mn  Mn3  1  0.50000234  0.00000247  0.49998971  1.0
  Mn  Mn4  1  0.00006731  0.50000186  0.66608548  1.0
  Mn  Mn5  1  0.50004366  0.99999866  0.83262182  1.0
  Al  Al6  1  0.00000826  0.99999694  0.00000404  1.0
  Al  Al7  1  0.49994524  0.49999980  0.16708685  1.0
  Al  Al8  1  0.99991514  0.00000433  0.33436242  1.0
  Al  Al9  1  0.49999509  0.50000711  0.49999432  1.0
  Al  Al10  1  0.00007825  0.00000054  0.66564314  1.0
  Al  Al11  1  0.50005546  0.49999834  0.83291326  1.0
  Ru  Ru12  1  0.50000542  0.24380132  0.00000382  1.0
  Ru  Ru13  1  0.50000606  0.75618459  0.00000376  1.0
  Ru  Ru14  1  0.99993413  0.24721964  0.16939119  1.0
  Ru  Ru15  1  0.99993203  0.75277497  0.16939099  1.0
  Ru  Ru16  1  0.49992769  0.25029504  0.33413284  1.0
  Ru  Ru17  1  0.49992884  0.74970698  0.33413221  1.0
  Ru  Ru18  1  0.99999829  0.25034985  0.49999762  1.0
  Ru  Ru19  1  0.99999489  0.74967387  0.49999741  1.0
  Ru  Ru20  1  0.50006371  0.25029395  0.66586092  1.0
  Ru  Ru21  1  0.50006551  0.74970792  0.66586144  1.0
  Ru  Ru22  1  0.00006769  0.24721873  0.83061693  1.0
  Ru  Ru23  1  0.00006681  0.75277877  0.83061696  1.0