# generated using pymatgen
data_Hf3Sc(Ta3Si4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83078974
_cell_length_b   6.83463267
_cell_length_c   12.57801125
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.94696831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Sc(Ta3Si4)2
_chemical_formula_sum   'Hf6 Sc2 Ta12 Si16'
_cell_volume   587.21601017
_cell_formula_units_Z   2
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  0.00249134  0.65934036  0.03076874  1.0
  Hf  Hf1  1  0.83869545  0.50165307  0.28037762  1.0
  Hf  Hf2  1  0.16130455  0.49834693  0.78037762  1.0
  Hf  Hf3  1  0.50121400  0.83854070  0.71887687  1.0
  Hf  Hf4  1  0.49878600  0.16145930  0.21887687  1.0
  Hf  Hf5  1  0.99750866  0.34065964  0.53076874  1.0
  Sc  Sc6  1  0.66177355  0.99963448  0.97027463  1.0
  Sc  Sc7  1  0.33822645  0.00036552  0.47027463  1.0
  Ta  Ta8  1  0.32819545  0.33112254  0.99977082  1.0
  Ta  Ta9  1  0.16976008  0.83001440  0.24965048  1.0
  Ta  Ta10  1  0.83023992  0.16998560  0.74965048  1.0
  Ta  Ta11  1  0.67180455  0.66887746  0.49977082  1.0
  Ta  Ta12  1  0.00336309  0.15335563  0.12702576  1.0
  Ta  Ta13  1  0.34905565  0.50400744  0.37561136  1.0
  Ta  Ta14  1  0.65094435  0.49599256  0.87561136  1.0
  Ta  Ta15  1  0.50435882  0.34837253  0.62437757  1.0
  Ta  Ta16  1  0.49564118  0.65162747  0.12437757  1.0
  Ta  Ta17  1  0.99663691  0.84664437  0.62702576  1.0
  Ta  Ta18  1  0.15150298  0.00391083  0.87328586  1.0
  Ta  Ta19  1  0.84849702  0.99608917  0.37328586  1.0
  Si  Si20  1  0.30038597  0.95675469  0.06327728  1.0
  Si  Si21  1  0.54309691  0.80183390  0.31419577  1.0
  Si  Si22  1  0.45690309  0.19816610  0.81419577  1.0
  Si  Si23  1  0.80068813  0.54400223  0.68637960  1.0
  Si  Si24  1  0.19931187  0.45599777  0.18637960  1.0
  Si  Si25  1  0.69961403  0.04324531  0.56327728  1.0
  Si  Si26  1  0.95482481  0.29951847  0.93619612  1.0
  Si  Si27  1  0.04517519  0.70048153  0.43619612  1.0
  Si  Si28  1  0.70703945  0.36383451  0.07260342  1.0
  Si  Si29  1  0.13686472  0.20817945  0.32306005  1.0
  Si  Si30  1  0.86313528  0.79182055  0.82306005  1.0
  Si  Si31  1  0.20807544  0.13625001  0.67713029  1.0
  Si  Si32  1  0.79192456  0.86374999  0.17713029  1.0
  Si  Si33  1  0.29296055  0.63616549  0.57260342  1.0
  Si  Si34  1  0.36356652  0.70797958  0.92713976  1.0
  Si  Si35  1  0.63643348  0.29202042  0.42713976  1.0