# generated using pymatgen
data_BaAl2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48041768
_cell_length_b   10.48040345
_cell_length_c   8.80613536
_cell_angle_alpha   90.00005046
_cell_angle_beta   90.00012441
_cell_angle_gamma   120.00004017
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2O4
_chemical_formula_sum   'Ba8 Al16 O32'
_cell_volume   837.66892581
_cell_formula_units_Z   8
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  0.49329168  0.99272681  0.75852495  1.0
  Ba  Ba1  1  0.50056661  0.49329662  0.25852462  1.0
  Ba  Ba2  1  0.99273497  0.49943581  0.25852565  1.0
  Ba  Ba3  1  0.00726557  0.50056311  0.75852282  1.0
  Ba  Ba4  1  0.49943542  0.50670687  0.75852458  1.0
  Ba  Ba5  1  0.50670296  0.00727125  0.25852586  1.0
  Ba  Ba6  1  0.00000353  0.00000019  0.74511863  1.0
  Ba  Ba7  1  -0.00000382  -0.00000051  0.24512364  1.0
  Al  Al8  1  0.66665627  0.33333116  0.04808133  1.0
  Al  Al9  1  0.33334512  0.66667059  0.54807838  1.0
  Al  Al10  1  0.66665794  0.33332721  0.44814862  1.0
  Al  Al11  1  0.33333969  0.66667106  0.94815178  1.0
  Al  Al12  1  0.84592663  0.67185949  0.95080245  1.0
  Al  Al13  1  0.17406517  0.84592379  0.45080637  1.0
  Al  Al14  1  0.67185738  0.82593288  0.45080422  1.0
  Al  Al15  1  0.32814562  0.17406729  0.95080416  1.0
  Al  Al16  1  0.82593100  0.15407484  0.95080653  1.0
  Al  Al17  1  0.15407157  0.32813791  0.45080091  1.0
  Al  Al18  1  0.84447044  0.66881579  0.56405660  1.0
  Al  Al19  1  0.17565120  0.84447365  0.06405997  1.0
  Al  Al20  1  0.66882096  0.82434503  0.06406347  1.0
  Al  Al21  1  0.33117977  0.17565401  0.56406001  1.0
  Al  Al22  1  0.82434853  0.15552574  0.56406175  1.0
  Al  Al23  1  0.15553046  0.33118312  0.06405726  1.0
  O  O24  1  0.66666583  0.33332991  0.24805754  1.0
  O  O25  1  0.33333548  0.66667188  0.74805780  1.0
  O  O26  1  0.88685009  0.67846011  0.75739227  1.0
  O  O27  1  0.20839146  0.88684945  0.25738689  1.0
  O  O28  1  0.67845336  0.79160554  0.25738909  1.0
  O  O29  1  0.32155158  0.20839967  0.75738779  1.0
  O  O30  1  0.79160105  0.11315093  0.75738771  1.0
  O  O31  1  0.11315092  0.32153536  0.25739159  1.0
  O  O32  1  0.81964266  0.49910900  0.50302283  1.0
  O  O33  1  0.32054969  0.81965893  0.00303614  1.0
  O  O34  1  0.49911097  0.67946545  0.00303107  1.0
  O  O35  1  0.50088943  0.32053695  0.50302782  1.0
  O  O36  1  0.67944942  0.18033885  0.50303202  1.0
  O  O37  1  0.18036012  0.50089142  0.00302511  1.0
  O  O38  1  0.50276025  0.81700097  0.49086980  1.0
  O  O39  1  0.68576054  0.50276298  0.99087508  1.0
  O  O40  1  0.81699826  0.31424369  0.99088517  1.0
  O  O41  1  0.18300394  0.68576045  0.49087927  1.0
  O  O42  1  0.31423527  0.49723497  0.49087273  1.0
  O  O43  1  0.49724260  0.18300072  0.99087371  1.0
  O  O44  1  0.31365842  0.00054863  0.54506604  1.0
  O  O45  1  0.31310439  0.31364801  0.04506094  1.0
  O  O46  1  0.00054965  0.68689315  0.04506053  1.0
  O  O47  1  0.99945183  0.31310830  0.54505922  1.0
  O  O48  1  0.17830168  0.99698715  0.98077797  1.0
  O  O49  1  0.18130633  0.17829021  0.48078455  1.0
  O  O50  1  0.99697972  0.81869787  0.48078731  1.0
  O  O51  1  0.00301887  0.18130093  0.98078454  1.0
  O  O52  1  0.81869430  0.82171011  0.98078314  1.0
  O  O53  1  0.82170094  0.00301068  0.48078591  1.0
  O  O54  1  0.68634108  0.99945206  0.04507161  1.0
  O  O55  1  0.68689620  0.68635097  0.54506324  1.0