# generated using pymatgen
data_Ti17Re(Si8Mo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63495847
_cell_length_b   6.63495906
_cell_length_c   12.12895847
_cell_angle_alpha   89.90215553
_cell_angle_beta   90.09784039
_cell_angle_gamma   89.92056802
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti17Re(Si8Mo)2
_chemical_formula_sum   'Ti17 Re1 Si16 Mo2'
_cell_volume   533.94715821
_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  0.99677506  0.14855831  0.62376029  1.0
  Ti  Ti1  1  0.35234352  0.49689369  0.87163318  1.0
  Ti  Ti2  1  0.64884232  0.50501821  0.37197495  1.0
  Ti  Ti3  1  0.49689369  0.35234352  0.12836682  1.0
  Ti  Ti4  1  0.50501821  0.64884232  0.62802505  1.0
  Ti  Ti5  1  0.00527282  0.84938090  0.12090725  1.0
  Ti  Ti6  1  0.14855831  0.99677506  0.37623971  1.0
  Ti  Ti7  1  0.84938090  0.00527282  0.87909275  1.0
  Ti  Ti8  1  0.00112889  0.34188657  0.22165145  1.0
  Ti  Ti9  1  0.15769045  0.50183713  0.47040473  1.0
  Ti  Ti10  1  0.83739768  0.50001880  0.97254760  1.0
  Ti  Ti11  1  0.50183713  0.15769045  0.52959527  1.0
  Ti  Ti12  1  0.50001880  0.83739768  0.02745240  1.0
  Ti  Ti13  1  0.99942276  0.65968783  0.72178298  1.0
  Ti  Ti14  1  0.34188657  0.00112889  0.77834855  1.0
  Ti  Ti15  1  0.65968783  0.99942276  0.27821702  1.0
  Ti  Ti16  1  0.82947883  0.82947883  0.50000000  1.0
  Re  Re17  1  0.17105005  0.17105005  1.00000000  1.0
  Si  Si18  1  0.04540274  0.30182990  0.81560148  1.0
  Si  Si19  1  0.19672494  0.54065753  0.06306826  1.0
  Si  Si20  1  0.80298461  0.45530614  0.56454874  1.0
  Si  Si21  1  0.54065753  0.19672494  0.93693174  1.0
  Si  Si22  1  0.45530614  0.80298461  0.43545126  1.0
  Si  Si23  1  0.95606956  0.69845833  0.31459391  1.0
  Si  Si24  1  0.30182990  0.04540274  0.18439852  1.0
  Si  Si25  1  0.69845833  0.95606956  0.68540609  1.0
  Si  Si26  1  0.29293296  0.35984519  0.67294134  1.0
  Si  Si27  1  0.14037443  0.79436496  0.92242079  1.0
  Si  Si28  1  0.85843130  0.20626532  0.42470923  1.0
  Si  Si29  1  0.79436496  0.14037443  0.07757921  1.0
  Si  Si30  1  0.20626532  0.85843130  0.57529077  1.0
  Si  Si31  1  0.70755326  0.64131750  0.17363080  1.0
  Si  Si32  1  0.35984519  0.29293296  0.32705866  1.0
  Si  Si33  1  0.64131750  0.70755326  0.82636920  1.0
  Mo  Mo34  1  0.32788113  0.67092237  0.24809975  1.0
  Mo  Mo35  1  0.67092237  0.32788113  0.75190025  1.0