# generated using pymatgen
data_Ti12Mn5Ir6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30462173
_cell_length_b   6.08203526
_cell_length_c   12.90557611
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000460
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12Mn5Ir6Ru
_chemical_formula_sum   'Ti12 Mn5 Ir6 Ru1'
_cell_volume   337.87909587
_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  0.50000000  0.25521710  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.74478390  0.00000000  1.0
  Ti  Ti2  1  0.00000240  0.25210344  0.16989084  1.0
  Ti  Ti3  1  0.00000240  0.74789556  0.16989084  1.0
  Ti  Ti4  1  0.50000356  0.24978825  0.33426164  1.0
  Ti  Ti5  1  0.50000356  0.75021275  0.33426164  1.0
  Ti  Ti6  1  0.00000000  0.24963286  0.50000000  1.0
  Ti  Ti7  1  0.00000000  0.75036614  0.50000000  1.0
  Ti  Ti8  1  0.49999844  0.24978825  0.66573836  1.0
  Ti  Ti9  1  0.49999844  0.75021275  0.66573836  1.0
  Ti  Ti10  1  0.99999760  0.25210344  0.83010916  1.0
  Ti  Ti11  1  0.99999760  0.74789556  0.83010916  1.0
  Mn  Mn12  1  0.50000179  0.50000000  0.16652947  1.0
  Mn  Mn13  1  0.00000251  0.00000000  0.33327610  1.0
  Mn  Mn14  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn15  1  0.99999749  0.00000000  0.66672390  1.0
  Mn  Mn16  1  0.49999621  0.50000000  0.83346953  1.0
  Ir  Ir17  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir18  1  0.50000102  0.00000000  0.16729828  1.0
  Ir  Ir19  1  0.00000327  0.50000000  0.33401421  1.0
  Ir  Ir20  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir21  1  0.99999673  0.50000000  0.66598579  1.0
  Ir  Ir22  1  0.49999798  0.00000000  0.83270172  1.0
  Ru  Ru23  1  0.00000000  0.00000000  0.00000000  1.0