# generated using pymatgen
data_Sc8Ti9Si16W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61772125
_cell_length_b   6.78377044
_cell_length_c   12.91738938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.07143483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Ti9Si16W3
_chemical_formula_sum   'Sc8 Ti9 Si16 W3'
_cell_volume   579.90122521
_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
  Sc  Sc0  1  0.50177056  0.67620253  0.59492032  1.0
  Sc  Sc1  1  0.00442976  0.82678515  0.90497871  1.0
  Sc  Sc2  1  0.49722820  0.32532061  0.09671764  1.0
  Sc  Sc3  1  0.99739617  0.17502052  0.40286927  1.0
  Sc  Sc4  1  0.49722820  0.32532061  0.40328236  1.0
  Sc  Sc5  1  0.99739617  0.17502052  0.09713073  1.0
  Sc  Sc6  1  0.50177056  0.67620253  0.90507968  1.0
  Sc  Sc7  1  0.00442976  0.82678515  0.59502129  1.0
  Ti  Ti8  1  0.66374479  0.17244038  0.62692289  1.0
  Ti  Ti9  1  0.16698441  0.32539697  0.87374341  1.0
  Ti  Ti10  1  0.33329366  0.82735548  0.12687480  1.0
  Ti  Ti11  1  0.83327227  0.67258139  0.37323140  1.0
  Ti  Ti12  1  0.33329366  0.82735548  0.37312520  1.0
  Ti  Ti13  1  0.83327227  0.67258139  0.12676860  1.0
  Ti  Ti14  1  0.66374479  0.17244038  0.87307711  1.0
  Ti  Ti15  1  0.16698441  0.32539697  0.62625659  1.0
  Ti  Ti16  1  0.84068408  0.49176518  0.75000000  1.0
  Si  Si17  1  0.66504286  0.96458789  0.45863576  1.0
  Si  Si18  1  0.16354608  0.53511154  0.04165459  1.0
  Si  Si19  1  0.33650474  0.03612625  0.95943012  1.0
  Si  Si20  1  0.83596585  0.46404358  0.53969272  1.0
  Si  Si21  1  0.33650474  0.03612625  0.54056988  1.0
  Si  Si22  1  0.83596585  0.46404358  0.96030728  1.0
  Si  Si23  1  0.66504286  0.96458789  0.04136424  1.0
  Si  Si24  1  0.16354608  0.53511154  0.45834541  1.0
  Si  Si25  1  0.46375445  0.38376992  0.75000000  1.0
  Si  Si26  1  0.96462350  0.11627030  0.75000000  1.0
  Si  Si27  1  0.53541830  0.61570721  0.25000000  1.0
  Si  Si28  1  0.03520938  0.88435462  0.25000000  1.0
  Si  Si29  1  0.70617148  0.86256633  0.75000000  1.0
  Si  Si30  1  0.20628006  0.63620112  0.75000000  1.0
  Si  Si31  1  0.29469438  0.13700307  0.25000000  1.0
  Si  Si32  1  0.79434050  0.36322807  0.25000000  1.0
  W  W33  1  0.34060314  0.00686768  0.75000000  1.0
  W  W34  1  0.16003337  0.50777559  0.25000000  1.0
  W  W35  1  0.65982366  0.99254833  0.25000000  1.0