# generated using pymatgen
data_Ti12CrTc5Ir6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36454402
_cell_length_b   6.15642498
_cell_length_c   13.08617131
_cell_angle_alpha   89.99997362
_cell_angle_beta   90.00000795
_cell_angle_gamma   89.99999989
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12CrTc5Ir6
_chemical_formula_sum   'Ti12 Cr1 Tc5 Ir6'
_cell_volume   351.62526314
_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  0.50000038  0.25182573  0.99736092  1.0
  Ti  Ti1  1  0.50000010  0.74817222  0.99736012  1.0
  Ti  Ti2  1  0.99998778  0.24978152  0.16570829  1.0
  Ti  Ti3  1  0.99998881  0.75020761  0.16570801  1.0
  Ti  Ti4  1  0.49998936  0.25000190  0.33334328  1.0
  Ti  Ti5  1  0.49998909  0.74998781  0.33334349  1.0
  Ti  Ti6  1  0.99999522  0.24977687  0.50096645  1.0
  Ti  Ti7  1  0.99999517  0.75021473  0.50096667  1.0
  Ti  Ti8  1  0.50000769  0.25183067  0.66929966  1.0
  Ti  Ti9  1  0.50000732  0.74817041  0.66930020  1.0
  Ti  Ti10  1  0.00001039  0.25375201  0.83332958  1.0
  Ti  Ti11  1  0.00001079  0.74625261  0.83332938  1.0
  Cr  Cr12  1  0.50004984  0.50004154  0.83331727  1.0
  Tc  Tc13  1  0.99999813  0.99999565  0.00008095  1.0
  Tc  Tc14  1  0.49999034  0.49999859  0.16671803  1.0
  Tc  Tc15  1  0.99998846  0.99999235  0.33334636  1.0
  Tc  Tc16  1  0.49999874  0.50000019  0.49994583  1.0
  Tc  Tc17  1  0.00000658  0.99999787  0.66658081  1.0
  Ir  Ir18  1  0.00000597  0.49999780  0.99953160  1.0
  Ir  Ir19  1  0.49998693  0.99999445  0.16640912  1.0
  Ir  Ir20  1  0.99999072  0.49999607  0.33332946  1.0
  Ir  Ir21  1  0.49999493  0.99999611  0.50028047  1.0
  Ir  Ir22  1  0.00001253  0.49999957  0.66712910  1.0
  Ir  Ir23  1  0.50000971  0.00001570  0.83331795  1.0