# generated using pymatgen
data_Ti3Si3MoIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40419679
_cell_length_b   7.40419733
_cell_length_c   7.40419642
_cell_angle_alpha   126.56496443
_cell_angle_beta   123.89686147
_cell_angle_gamma   81.17404516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Si3MoIr2
_chemical_formula_sum   'Ti6 Si6 Mo2 Ir4'
_cell_volume   260.69786706
_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  0.96520879  0.73117082  0.26596103  1.0
  Ti  Ti1  1  0.03479121  0.30075323  0.76596103  1.0
  Ti  Ti2  1  0.24678381  0.16672998  0.41994617  1.0
  Ti  Ti3  1  0.75321619  0.17316437  0.91994617  1.0
  Ti  Ti4  1  0.56102164  0.34723268  0.28620904  1.0
  Ti  Ti5  1  0.43897836  0.72518740  0.78620904  1.0
  Si  Si6  1  0.78260122  0.80136095  0.51875973  1.0
  Si  Si7  1  0.21739878  0.73615851  0.01875973  1.0
  Si  Si8  1  0.33782259  0.07081283  0.74720584  1.0
  Si  Si9  1  0.66217741  0.40938325  0.73299024  1.0
  Si  Si10  1  0.17639301  0.40938325  0.24720584  1.0
  Si  Si11  1  0.82360699  0.07081283  0.23299024  1.0
  Mo  Mo12  1  0.50000000  0.49766355  0.99766355  1.0
  Mo  Mo13  1  1.00000000  0.49766355  0.49766355  1.0
  Ir  Ir14  1  0.16475712  0.00393443  0.91228710  1.0
  Ir  Ir15  1  0.83524288  0.74752998  0.83917731  1.0
  Ir  Ir16  1  0.40835267  0.74752998  0.41228710  1.0
  Ir  Ir17  1  0.59164733  0.00393443  0.33917731  1.0