# generated using pymatgen
data_Ti3Mn2Si3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23856763
_cell_length_b   7.23856971
_cell_length_c   7.23856925
_cell_angle_alpha   127.84541915
_cell_angle_beta   120.39101244
_cell_angle_gamma   83.14069186
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Mn2Si3Ir
_chemical_formula_sum   'Ti6 Mn4 Si6 Ir2'
_cell_volume   247.99111487
_cell_formula_units_Z   2
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  0.74813717  0.08758044  0.83944427  1.0
  Ti  Ti1  1  0.47775234  0.96098905  0.98323571  1.0
  Ti  Ti2  1  0.52224766  0.50548337  0.48323571  1.0
  Ti  Ti3  1  0.95282697  0.90700815  0.45418118  1.0
  Ti  Ti4  1  0.25186283  0.09130610  0.33944427  1.0
  Ti  Ti5  1  0.04717303  0.50135521  0.95418118  1.0
  Mn  Mn6  1  0.91069335  0.25455640  0.40773636  1.0
  Mn  Mn7  1  0.65317896  0.49704201  0.90773636  1.0
  Mn  Mn8  1  0.34682104  0.25455640  0.84386505  1.0
  Mn  Mn9  1  0.08930665  0.49704201  0.34386505  1.0
  Si  Si10  1  0.27631386  0.52327907  0.74696521  1.0
  Si  Si11  1  0.16235911  0.17177772  0.99844407  1.0
  Si  Si12  1  0.67333265  0.17177772  0.50941861  1.0
  Si  Si13  1  0.32666735  0.83608397  0.49844407  1.0
  Si  Si14  1  0.72368614  0.47065234  0.24696521  1.0
  Si  Si15  1  0.83764089  0.83608397  0.00941861  1.0
  Ir  Ir16  1  0.50000000  0.74561054  0.24561054  1.0
  Ir  Ir17  1  0.00000000  0.74561054  0.74561054  1.0