# generated using pymatgen
data_Hf16ScSi16Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94971854
_cell_length_b   6.94836004
_cell_length_c   12.69878984
_cell_angle_alpha   90.08263261
_cell_angle_beta   89.91602183
_cell_angle_gamma   89.85108773
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf16ScSi16Mo3
_chemical_formula_sum   'Hf16 Sc1 Si16 Mo3'
_cell_volume   613.21035322
_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
  Hf  Hf0  1  0.17512214  0.17493308  0.99991999  1.0
  Hf  Hf1  1  0.50409634  0.84562697  0.03160087  1.0
  Hf  Hf2  1  0.65604333  0.00087388  0.28223918  1.0
  Hf  Hf3  1  0.34454217  0.99726132  0.78096796  1.0
  Hf  Hf4  1  0.84508932  0.50357543  0.96827486  1.0
  Hf  Hf5  1  0.15441601  0.49855433  0.46916392  1.0
  Hf  Hf6  1  0.00040051  0.65556714  0.71810265  1.0
  Hf  Hf7  1  0.99800413  0.34513918  0.21925890  1.0
  Hf  Hf8  1  0.49757914  0.35659862  0.12766569  1.0
  Hf  Hf9  1  0.50380526  0.64312917  0.62714826  1.0
  Hf  Hf10  1  0.85400843  0.00259264  0.87399921  1.0
  Hf  Hf11  1  0.14404710  0.99484399  0.37741726  1.0
  Hf  Hf12  1  0.64417321  0.50369838  0.37304477  1.0
  Hf  Hf13  1  0.35628267  0.49828675  0.87217459  1.0
  Hf  Hf14  1  0.00237954  0.85409274  0.12624282  1.0
  Hf  Hf15  1  0.99562269  0.14312539  0.62272962  1.0
  Sc  Sc16  1  0.49754497  0.15627625  0.53060870  1.0
  Si  Si17  1  0.79547109  0.14662274  0.07132966  1.0
  Si  Si18  1  0.20389663  0.85238014  0.57229607  1.0
  Si  Si19  1  0.64581968  0.70551078  0.82232782  1.0
  Si  Si20  1  0.35286329  0.29547949  0.32213833  1.0
  Si  Si21  1  0.85405240  0.20461463  0.42731031  1.0
  Si  Si22  1  0.14629059  0.79555397  0.92875568  1.0
  Si  Si23  1  0.70528095  0.64557892  0.17787727  1.0
  Si  Si24  1  0.29378879  0.35335958  0.67710290  1.0
  Si  Si25  1  0.55101158  0.19950860  0.93376262  1.0
  Si  Si26  1  0.45260968  0.80146546  0.43512968  1.0
  Si  Si27  1  0.69647218  0.95238790  0.68322369  1.0
  Si  Si28  1  0.30434188  0.04471270  0.18644630  1.0
  Si  Si29  1  0.80186364  0.45217115  0.56511407  1.0
  Si  Si30  1  0.19920339  0.55134787  0.06605051  1.0
  Si  Si31  1  0.95194607  0.69742321  0.31642237  1.0
  Si  Si32  1  0.04493129  0.30437835  0.81362901  1.0
  Mo  Mo33  1  0.67603776  0.32591777  0.74904802  1.0
  Mo  Mo34  1  0.32490364  0.67477796  0.25129110  1.0
  Mo  Mo35  1  0.82605650  0.82262851  0.50018437  1.0