# generated using pymatgen
data_Ti16Si16TcMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62741266
_cell_length_b   6.62741336
_cell_length_c   12.11692666
_cell_angle_alpha   90.10630644
_cell_angle_beta   89.89369173
_cell_angle_gamma   89.95350113
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti16Si16TcMo3
_chemical_formula_sum   'Ti16 Si16 Tc1 Mo3'
_cell_volume   532.20495268
_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  0.99572610  0.15077270  0.62183009  1.0
  Ti  Ti1  1  0.35156125  0.49547681  0.87231390  1.0
  Ti  Ti2  1  0.64756760  0.50224450  0.37161495  1.0
  Ti  Ti3  1  0.49547681  0.35156125  0.12768610  1.0
  Ti  Ti4  1  0.50224450  0.64756760  0.62838505  1.0
  Ti  Ti5  1  0.00366295  0.85172182  0.12321706  1.0
  Ti  Ti6  1  0.15077270  0.99572610  0.37816991  1.0
  Ti  Ti7  1  0.85172182  0.00366295  0.87678294  1.0
  Ti  Ti8  1  0.99991544  0.33985292  0.22294675  1.0
  Ti  Ti9  1  0.16307713  0.49787980  0.47223412  1.0
  Ti  Ti10  1  0.83968773  0.50000367  0.97179593  1.0
  Ti  Ti11  1  0.49787980  0.16307713  0.52776588  1.0
  Ti  Ti12  1  0.50000367  0.83968773  0.02820407  1.0
  Ti  Ti13  1  0.00064428  0.65992723  0.72268424  1.0
  Ti  Ti14  1  0.33985292  0.99991544  0.77705325  1.0
  Ti  Ti15  1  0.65992723  0.00064428  0.27731576  1.0
  Si  Si16  1  0.04329571  0.30298947  0.81456339  1.0
  Si  Si17  1  0.19651028  0.54353523  0.06480469  1.0
  Si  Si18  1  0.80344350  0.46037443  0.56317448  1.0
  Si  Si19  1  0.54353523  0.19651028  0.93519531  1.0
  Si  Si20  1  0.46037443  0.80344350  0.43682552  1.0
  Si  Si21  1  0.95455590  0.69831830  0.31647067  1.0
  Si  Si22  1  0.30298947  0.04329571  0.18543661  1.0
  Si  Si23  1  0.69831830  0.95455590  0.68352933  1.0
  Si  Si24  1  0.29256332  0.35891527  0.67392432  1.0
  Si  Si25  1  0.14085986  0.79290125  0.92377567  1.0
  Si  Si26  1  0.85919835  0.20536331  0.42357259  1.0
  Si  Si27  1  0.79290125  0.14085986  0.07622433  1.0
  Si  Si28  1  0.20536331  0.85919835  0.57642741  1.0
  Si  Si29  1  0.70685036  0.64082878  0.17377731  1.0
  Si  Si30  1  0.35891527  0.29256332  0.32607568  1.0
  Si  Si31  1  0.64082878  0.70685036  0.82622269  1.0
  Tc  Tc32  1  0.82942468  0.82942468  0.50000000  1.0
  Mo  Mo33  1  0.17035587  0.17035587  1.00000000  1.0
  Mo  Mo34  1  0.32882526  0.67117197  0.25124731  1.0
  Mo  Mo35  1  0.67117197  0.32882526  0.74875269  1.0