# generated using pymatgen
data_SrAl2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89270800
_cell_length_b   8.89270843
_cell_length_c   8.37905329
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2O4
_chemical_formula_sum   'Sr6 Al12 O24'
_cell_volume   573.84375197
_cell_formula_units_Z   6
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
  Sr  Sr0  1  0.66666700  0.33333300  0.28043990  1.0
  Sr  Sr1  1  0.33333300  0.66666700  0.78043990  1.0
  Sr  Sr2  1  0.66666700  0.33333300  0.74299021  1.0
  Sr  Sr3  1  0.33333300  0.66666700  0.24299021  1.0
  Sr  Sr4  1  -0.00000000  -0.00000000  0.76069950  1.0
  Sr  Sr5  1  -0.00000000  -0.00000000  0.26069950  1.0
  Al  Al6  1  0.67665562  0.66095220  0.44708060  1.0
  Al  Al7  1  0.01570442  0.67665562  0.94708060  1.0
  Al  Al8  1  0.66095220  0.98429558  0.94708060  1.0
  Al  Al9  1  0.33904780  0.01570442  0.44708060  1.0
  Al  Al10  1  0.98429558  0.32334438  0.44708060  1.0
  Al  Al11  1  0.32334438  0.33904780  0.94708060  1.0
  Al  Al12  1  0.68361293  0.66373197  0.05437753  1.0
  Al  Al13  1  0.01988196  0.68361293  0.55437753  1.0
  Al  Al14  1  0.66373197  0.98011804  0.55437753  1.0
  Al  Al15  1  0.33626803  0.01988196  0.05437753  1.0
  Al  Al16  1  0.98011804  0.31638707  0.05437753  1.0
  Al  Al17  1  0.31638707  0.33626803  0.55437753  1.0
  O  O18  1  0.54206599  0.44875180  0.51927486  1.0
  O  O19  1  0.09331419  0.54206599  0.01927486  1.0
  O  O20  1  0.44875180  0.90668581  0.01927486  1.0
  O  O21  1  0.55124820  0.09331419  0.51927486  1.0
  O  O22  1  0.90668581  0.45793401  0.51927486  1.0
  O  O23  1  0.45793401  0.55124820  0.01927486  1.0
  O  O24  1  0.20797619  0.78990370  0.43792456  1.0
  O  O25  1  0.41807249  0.20797619  0.93792456  1.0
  O  O26  1  0.78990370  0.58192751  0.93792456  1.0
  O  O27  1  0.21009630  0.41807249  0.43792456  1.0
  O  O28  1  0.58192751  0.79202381  0.43792456  1.0
  O  O29  1  0.79202381  0.21009630  0.93792456  1.0
  O  O30  1  0.88876988  0.11974051  0.53844531  1.0
  O  O31  1  0.76902937  0.88876988  0.03844531  1.0
  O  O32  1  0.11974051  0.23097063  0.03844531  1.0
  O  O33  1  0.88025949  0.76902937  0.53844531  1.0
  O  O34  1  0.23097063  0.11123012  0.53844531  1.0
  O  O35  1  0.11123012  0.88025949  0.03844531  1.0
  O  O36  1  0.27337845  0.36748388  0.75118661  1.0
  O  O37  1  0.90589457  0.27337845  0.25118661  1.0
  O  O38  1  0.36748388  0.09410543  0.25118661  1.0
  O  O39  1  0.63251612  0.90589457  0.75118661  1.0
  O  O40  1  0.09410543  0.72662155  0.75118661  1.0
  O  O41  1  0.72662155  0.63251612  0.25118661  1.0