# generated using pymatgen
data_Ti12FeTc6Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35788343
_cell_length_b   6.15209627
_cell_length_c   13.06413090
_cell_angle_alpha   89.99994677
_cell_angle_beta   89.99985836
_cell_angle_gamma   89.99997789
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti12FeTc6Ir5
_chemical_formula_sum   'Ti12 Fe1 Tc6 Ir5'
_cell_volume   350.25089612
_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  0.50000100  0.25689025  0.00000000  1.0
  Ti  Ti1  1  0.49999900  0.74311075  1.00000000  1.0
  Ti  Ti2  1  0.00000737  0.25333788  0.16215710  1.0
  Ti  Ti3  1  0.00000737  0.74666012  0.16215610  1.0
  Ti  Ti4  1  0.50000693  0.24947142  0.33196240  1.0
  Ti  Ti5  1  0.50000593  0.75052758  0.33196240  1.0
  Ti  Ti6  1  1.00000000  0.24989650  0.50000000  1.0
  Ti  Ti7  1  0.00000000  0.75010250  0.50000000  1.0
  Ti  Ti8  1  0.49999307  0.24947342  0.66803760  1.0
  Ti  Ti9  1  0.49999207  0.75052958  0.66803760  1.0
  Ti  Ti10  1  0.99999263  0.25333988  0.83784290  1.0
  Ti  Ti11  1  0.99999263  0.74666212  0.83784190  1.0
  Fe  Fe12  1  0.00000000  0.50000000  0.00000000  1.0
  Tc  Tc13  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc14  1  0.49999672  0.50000000  0.16575045  1.0
  Tc  Tc15  1  0.99999631  1.00000000  0.33251347  1.0
  Tc  Tc16  1  0.50000000  0.50000000  0.50000000  1.0
  Tc  Tc17  1  0.00000369  0.00000000  0.66748553  1.0
  Tc  Tc18  1  0.50000328  0.50000000  0.83424855  1.0
  Ir  Ir19  1  0.50000171  1.00000000  0.16583229  1.0
  Ir  Ir20  1  0.00000069  0.50000000  0.33273415  1.0
  Ir  Ir21  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir22  1  0.99999831  0.50000000  0.66726685  1.0
  Ir  Ir23  1  0.49999829  0.00000000  0.83416771  1.0