# generated using pymatgen
data_Ti12Mn6AlIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29494293
_cell_length_b   6.07783830
_cell_length_c   12.89392369
_cell_angle_alpha   90.00012105
_cell_angle_beta   89.99996851
_cell_angle_gamma   89.99974089
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12Mn6AlIr5
_chemical_formula_sum   'Ti12 Mn6 Al1 Ir5'
_cell_volume   336.58257914
_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  0.50000247  0.24680300  0.00000027  1.0
  Ti  Ti1  1  0.49999733  0.75319749  0.99999982  1.0
  Ti  Ti2  1  0.00000063  0.24875249  0.16809636  1.0
  Ti  Ti3  1  0.00000681  0.75124692  0.16809604  1.0
  Ti  Ti4  1  0.50000909  0.24984278  0.33390025  1.0
  Ti  Ti5  1  0.49999799  0.75015795  0.33390045  1.0
  Ti  Ti6  1  0.99999840  0.25039257  0.49999925  1.0
  Ti  Ti7  1  0.00000186  0.74960688  0.50000026  1.0
  Ti  Ti8  1  0.50000257  0.24984312  0.66609927  1.0
  Ti  Ti9  1  0.49999150  0.75015739  0.66609948  1.0
  Ti  Ti10  1  0.99999304  0.24875229  0.83190414  1.0
  Ti  Ti11  1  0.99999912  0.75124737  0.83190375  1.0
  Mn  Mn12  1  0.99999972  0.99999997  0.99999942  1.0
  Mn  Mn13  1  0.50000240  0.49999858  0.16366314  1.0
  Mn  Mn14  1  0.00000274  0.00000149  0.33375482  1.0
  Mn  Mn15  1  0.50000004  0.50000004  0.50000039  1.0
  Mn  Mn16  1  0.99999733  0.99999841  0.66624577  1.0
  Mn  Mn17  1  0.49999655  0.50000154  0.83633588  1.0
  Al  Al18  1  0.99999990  0.50000004  0.00000013  1.0
  Ir  Ir19  1  0.50000274  0.00000036  0.16782163  1.0
  Ir  Ir20  1  0.00000411  0.49999935  0.33350060  1.0
  Ir  Ir21  1  0.50000030  1.00000000  0.50000009  1.0
  Ir  Ir22  1  0.99999663  0.50000071  0.66649942  1.0
  Ir  Ir23  1  0.49999775  0.99999929  0.83217837  1.0