# generated using pymatgen
data_Ba8Si43Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.32438628
_cell_length_b   10.32439259
_cell_length_c   10.32436970
_cell_angle_alpha   90.05044153
_cell_angle_beta   90.05046067
_cell_angle_gamma   90.05030548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8Si43Ni3
_chemical_formula_sum   'Ba8 Si43 Ni3'
_cell_volume   1100.50443942
_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
  Ba  Ba0  1  0.25353421  0.25353448  0.25353440  1.0
  Ba  Ba1  1  0.74646576  0.74646542  0.74646574  1.0
  Ba  Ba2  1  0.49999987  0.73834704  0.26165494  1.0
  Ba  Ba3  1  0.73834924  0.26165143  0.49999943  1.0
  Ba  Ba4  1  0.26165228  0.50000073  0.73834515  1.0
  Ba  Ba5  1  0.00000074  0.73802561  0.26197688  1.0
  Ba  Ba6  1  0.73802699  0.26197398  0.00000085  1.0
  Ba  Ba7  1  0.26197345  0.99999849  0.73802317  1.0
  Si  Si8  1  0.43423581  0.43423907  0.43423760  1.0
  Si  Si9  1  0.06508131  0.06508080  0.06508129  1.0
  Si  Si10  1  0.06384393  0.43300152  0.06498757  1.0
  Si  Si11  1  0.43386105  0.06368391  0.43334563  1.0
  Si  Si12  1  0.43300097  0.06498712  0.06384388  1.0
  Si  Si13  1  0.06368361  0.43334541  0.43386160  1.0
  Si  Si14  1  0.06498785  0.06384420  0.43300039  1.0
  Si  Si15  1  0.43334543  0.43386100  0.06368366  1.0
  Si  Si16  1  0.56665456  0.93631596  0.56613802  1.0
  Si  Si17  1  0.93501267  0.56699908  0.93615660  1.0
  Si  Si18  1  0.93491911  0.93491845  0.93491911  1.0
  Si  Si19  1  0.56576104  0.56576445  0.56576189  1.0
  Si  Si20  1  0.93631588  0.56613892  0.56665401  1.0
  Si  Si21  1  0.56699863  0.93615574  0.93501292  1.0
  Si  Si22  1  0.56613920  0.56665477  0.93631692  1.0
  Si  Si23  1  0.93615572  0.93501200  0.56699939  1.0
  Si  Si24  1  0.24942421  0.56725098  0.38213579  1.0
  Si  Si25  1  0.56725043  0.38213776  0.24942680  1.0
  Si  Si26  1  0.38213737  0.24942650  0.56725165  1.0
  Si  Si27  1  0.24933874  0.94277714  0.13584106  1.0
  Si  Si28  1  0.94277740  0.13584067  0.24933872  1.0
  Si  Si29  1  0.13584117  0.24933868  0.94277726  1.0
  Si  Si30  1  0.24896269  0.55593104  0.13304076  1.0
  Si  Si31  1  0.93030591  0.37909163  0.24966189  1.0
  Si  Si32  1  0.24966124  0.93030636  0.37909039  1.0
  Si  Si33  1  0.55593080  0.13304084  0.24896297  1.0
  Si  Si34  1  0.37909123  0.24966133  0.93030447  1.0
  Si  Si35  1  0.13304103  0.24896209  0.55593083  1.0
  Si  Si36  1  0.62090924  0.06969375  0.75033820  1.0
  Si  Si37  1  0.75103796  0.86695869  0.44406892  1.0
  Si  Si38  1  0.43274770  0.75057547  0.61786322  1.0
  Si  Si39  1  0.86695936  0.44406946  0.75103705  1.0
  Si  Si40  1  0.75033882  0.62090914  0.06969521  1.0
  Si  Si41  1  0.05722272  0.75066115  0.86415922  1.0
  Si  Si42  1  0.86415955  0.05722233  0.75066132  1.0
  Si  Si43  1  0.75066139  0.86415853  0.05722321  1.0
  Si  Si44  1  0.61786333  0.43275056  0.75057329  1.0
  Si  Si45  1  0.75057363  0.61786271  0.43274825  1.0
  Si  Si46  1  0.06969297  0.75033849  0.62090945  1.0
  Si  Si47  1  0.44406888  0.75103715  0.86695942  1.0
  Si  Si48  1  0.00000037  0.24905557  0.75094390  1.0
  Si  Si49  1  0.24905556  0.75094427  0.00000014  1.0
  Si  Si50  1  0.75094450  0.99999949  0.24905609  1.0
  Ni  Ni51  1  0.50000197  0.25038075  0.74962049  1.0
  Ni  Ni52  1  0.25037865  0.74962076  0.49999915  1.0
  Ni  Ni53  1  0.74961986  0.49999913  0.25037984  1.0