# generated using pymatgen
data_Zr9Ti9(Si8Mo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82664739
_cell_length_b   6.82664767
_cell_length_c   12.55350865
_cell_angle_alpha   89.92171810
_cell_angle_beta   90.07827962
_cell_angle_gamma   89.94333123
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr9Ti9(Si8Mo)2
_chemical_formula_sum   'Zr9 Ti9 Si16 Mo2'
_cell_volume   585.03124677
_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
  Zr  Zr0  1  0.00124298  0.65903722  0.03116827  1.0
  Zr  Zr1  1  0.99742356  0.34142450  0.53115991  1.0
  Zr  Zr2  1  0.65903722  0.00124298  0.96883173  1.0
  Zr  Zr3  1  0.15666931  0.49849188  0.78000592  1.0
  Zr  Zr4  1  0.84192459  0.50257662  0.28266059  1.0
  Zr  Zr5  1  0.49849188  0.15666931  0.21999408  1.0
  Zr  Zr6  1  0.50257662  0.84192459  0.71733941  1.0
  Zr  Zr7  1  0.34142450  0.99742356  0.46884009  1.0
  Zr  Zr8  1  0.32963565  0.32963565  0.00000000  1.0
  Ti  Ti9  1  0.34631148  0.50521286  0.37906343  1.0
  Ti  Ti10  1  0.84857308  0.99464713  0.37272680  1.0
  Ti  Ti11  1  0.00542321  0.15079868  0.12861727  1.0
  Ti  Ti12  1  0.99464713  0.84857308  0.62727320  1.0
  Ti  Ti13  1  0.65406954  0.49619998  0.87606431  1.0
  Ti  Ti14  1  0.50521286  0.34631148  0.62093657  1.0
  Ti  Ti15  1  0.49619998  0.65406954  0.12393569  1.0
  Ti  Ti16  1  0.15079868  0.00542321  0.87138273  1.0
  Ti  Ti17  1  0.67012412  0.67012412  0.50000000  1.0
  Si  Si18  1  0.04548733  0.70605323  0.43732886  1.0
  Si  Si19  1  0.94864279  0.29337451  0.93524247  1.0
  Si  Si20  1  0.70605323  0.04548733  0.56267114  1.0
  Si  Si21  1  0.20456451  0.45826736  0.19048134  1.0
  Si  Si22  1  0.79267563  0.54534658  0.68535522  1.0
  Si  Si23  1  0.45826736  0.20456451  0.80951866  1.0
  Si  Si24  1  0.54534658  0.79267563  0.31464478  1.0
  Si  Si25  1  0.29337451  0.94864279  0.06475753  1.0
  Si  Si26  1  0.86627385  0.79258712  0.82207796  1.0
  Si  Si27  1  0.13351617  0.20781486  0.32371365  1.0
  Si  Si28  1  0.79258712  0.86627385  0.17792204  1.0
  Si  Si29  1  0.29326037  0.63451335  0.57227911  1.0
  Si  Si30  1  0.71143499  0.36632270  0.07377680  1.0
  Si  Si31  1  0.63451335  0.29326037  0.42772089  1.0
  Si  Si32  1  0.36632270  0.71143499  0.92622320  1.0
  Si  Si33  1  0.20781486  0.13351617  0.67628635  1.0
  Mo  Mo34  1  0.82983870  0.17023557  0.74851417  1.0
  Mo  Mo35  1  0.17023557  0.82983870  0.25148583  1.0