# generated using pymatgen
data_Ti12Re5MoIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38750310
_cell_length_b   6.18940297
_cell_length_c   13.16319386
_cell_angle_alpha   90.00003276
_cell_angle_beta   89.99980847
_cell_angle_gamma   89.99996075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12Re5MoIr6
_chemical_formula_sum   'Ti12 Re5 Mo1 Ir6'
_cell_volume   357.46001758
_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  0.49998874  0.24943481  0.99999590  1.0
  Ti  Ti1  1  0.50000881  0.75056697  0.99999573  1.0
  Ti  Ti2  1  0.00007573  0.24955948  0.16629931  1.0
  Ti  Ti3  1  0.00009190  0.75044449  0.16630032  1.0
  Ti  Ti4  1  0.50007212  0.24983152  0.33309539  1.0
  Ti  Ti5  1  0.50007386  0.75017033  0.33309503  1.0
  Ti  Ti6  1  0.00000294  0.24988262  0.50000260  1.0
  Ti  Ti7  1  0.99999689  0.75012939  0.50000249  1.0
  Ti  Ti8  1  0.49993058  0.24982901  0.66690701  1.0
  Ti  Ti9  1  0.49991775  0.75017063  0.66690636  1.0
  Ti  Ti10  1  0.99992139  0.24956170  0.83369832  1.0
  Ti  Ti11  1  0.99993035  0.75044551  0.83369693  1.0
  Re  Re12  1  0.50006739  0.49998384  0.16721531  1.0
  Re  Re13  1  0.00005176  0.99999488  0.33410632  1.0
  Re  Re14  1  0.50000025  0.49999834  0.50000258  1.0
  Re  Re15  1  0.99994167  0.99999540  0.66590009  1.0
  Re  Re16  1  0.49991278  0.49998541  0.83278317  1.0
  Mo  Mo17  1  0.00000108  0.99999791  0.99999620  1.0
  Ir  Ir18  1  0.99999823  0.50000573  0.99999794  1.0
  Ir  Ir19  1  0.50007298  0.99999716  0.16780907  1.0
  Ir  Ir20  1  0.00006713  0.50000512  0.33360424  1.0
  Ir  Ir21  1  0.50000250  0.99999995  0.50000209  1.0
  Ir  Ir22  1  0.99993058  0.50000515  0.66639880  1.0
  Ir  Ir23  1  0.49993859  0.99999665  0.83218781  1.0