# generated using pymatgen
data_Ti16NbSi16Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65503900
_cell_length_b   6.65503923
_cell_length_c   12.16881244
_cell_angle_alpha   89.92594439
_cell_angle_beta   90.07405903
_cell_angle_gamma   89.97985007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti16NbSi16Mo3
_chemical_formula_sum   'Ti16 Nb1 Si16 Mo3'
_cell_volume   538.95023974
_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  0.99621367  0.14878709  0.62316600  1.0
  Ti  Ti1  1  0.35115107  0.49548315  0.87202512  1.0
  Ti  Ti2  1  0.64929546  0.50528564  0.37160035  1.0
  Ti  Ti3  1  0.49548315  0.35115107  0.12797488  1.0
  Ti  Ti4  1  0.50528564  0.64929546  0.62839965  1.0
  Ti  Ti5  1  0.00521078  0.85083996  0.12075059  1.0
  Ti  Ti6  1  0.14878709  0.99621367  0.37683400  1.0
  Ti  Ti7  1  0.85083996  0.00521078  0.87924941  1.0
  Ti  Ti8  1  0.00219796  0.33946194  0.22116702  1.0
  Ti  Ti9  1  0.15840719  0.50204099  0.47156817  1.0
  Ti  Ti10  1  0.83971770  0.49823244  0.97222610  1.0
  Ti  Ti11  1  0.50204099  0.15840719  0.52843183  1.0
  Ti  Ti12  1  0.49823244  0.83971770  0.02777390  1.0
  Ti  Ti13  1  0.99855586  0.66008350  0.72186758  1.0
  Ti  Ti14  1  0.33946194  0.00219796  0.77883298  1.0
  Ti  Ti15  1  0.66008350  0.99855586  0.27813242  1.0
  Nb  Nb16  1  0.82899374  0.82899374  0.50000000  1.0
  Si  Si17  1  0.04365169  0.30286829  0.81434977  1.0
  Si  Si18  1  0.19738444  0.54326439  0.06372049  1.0
  Si  Si19  1  0.80138678  0.45230147  0.56496955  1.0
  Si  Si20  1  0.54326439  0.19738444  0.93627951  1.0
  Si  Si21  1  0.45230147  0.80138678  0.43503045  1.0
  Si  Si22  1  0.95856730  0.69583179  0.31186339  1.0
  Si  Si23  1  0.30286829  0.04365169  0.18565023  1.0
  Si  Si24  1  0.69583179  0.95856730  0.68813661  1.0
  Si  Si25  1  0.29312315  0.36018553  0.67301956  1.0
  Si  Si26  1  0.14022507  0.79280389  0.92263917  1.0
  Si  Si27  1  0.86034592  0.20918459  0.42298094  1.0
  Si  Si28  1  0.79280389  0.14022507  0.07736083  1.0
  Si  Si29  1  0.20918459  0.86034592  0.57701906  1.0
  Si  Si30  1  0.70722260  0.64052454  0.17258988  1.0
  Si  Si31  1  0.36018553  0.29312315  0.32698044  1.0
  Si  Si32  1  0.64052454  0.70722260  0.82741012  1.0
  Mo  Mo33  1  0.17121448  0.17121448  0.00000000  1.0
  Mo  Mo34  1  0.32927981  0.67067813  0.24867015  1.0
  Mo  Mo35  1  0.67067813  0.32927981  0.75132985  1.0