# generated using pymatgen
data_Ti12Tc6Ir5Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36879712
_cell_length_b   6.17241786
_cell_length_c   13.10255901
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99990866
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12Tc6Ir5Ru
_chemical_formula_sum   'Ti12 Tc6 Ir5 Ru1'
_cell_volume   353.32414801
_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  0.49998654  0.24850335  0.99817689  1.0
  Ti  Ti1  1  0.49998654  0.75149565  0.99817689  1.0
  Ti  Ti2  1  0.00003071  0.24998719  0.16619300  1.0
  Ti  Ti3  1  0.00003071  0.75001181  0.16619300  1.0
  Ti  Ti4  1  0.50003595  0.25015956  0.33334483  1.0
  Ti  Ti5  1  0.50003595  0.74984044  0.33334483  1.0
  Ti  Ti6  1  0.99999711  0.24998758  0.50048375  1.0
  Ti  Ti7  1  0.99999711  0.75001342  0.50048375  1.0
  Ti  Ti8  1  0.49994953  0.24850007  0.66847598  1.0
  Ti  Ti9  1  0.49994953  0.75149993  0.66847598  1.0
  Ti  Ti10  1  0.99994707  0.24698825  0.83331990  1.0
  Ti  Ti11  1  0.99994707  0.75301075  0.83331990  1.0
  Tc  Tc12  1  0.99998782  0.00000000  0.00101275  1.0
  Tc  Tc13  1  0.50002828  0.50000000  0.16680830  1.0
  Tc  Tc14  1  0.00003173  0.00000000  0.33334918  1.0
  Tc  Tc15  1  0.49999730  0.50000000  0.49986404  1.0
  Tc  Tc16  1  0.99995467  0.00000000  0.66565937  1.0
  Tc  Tc17  1  0.49995064  0.50000000  0.83332160  1.0
  Ir  Ir18  1  0.99998747  0.50000000  0.00016721  1.0
  Ir  Ir19  1  0.50002551  0.00000000  0.16714577  1.0
  Ir  Ir20  1  0.00003743  0.50000000  0.33333986  1.0
  Ir  Ir21  1  0.49999671  0.00000000  0.49952127  1.0
  Ir  Ir22  1  0.99995014  0.50000000  0.66650306  1.0
  Ru  Ru23  1  0.49995548  0.00000000  0.83332389  1.0