# generated using pymatgen
data_BaAl5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70720567
_cell_length_b   5.70720567
_cell_length_c   13.49569700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl5O9
_chemical_formula_sum   'Ba2 Al10 O18'
_cell_volume   380.69135483
_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
  Ba  Ba0  1  0.33333300  0.66666700  0.25000000  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.75000000  1.0
  Al  Al2  1  0.50000000  0.50000000  0.50000000  1.0
  Al  Al3  1  0.50000000  0.00000000  0.50000000  1.0
  Al  Al4  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.00000000  1.0
  Al  Al6  1  0.50000000  0.00000000  0.00000000  1.0
  Al  Al7  1  0.00000000  0.50000000  0.00000000  1.0
  Al  Al8  1  0.00000000  0.00000000  0.12050600  1.0
  Al  Al9  1  0.00000000  0.00000000  0.87949400  1.0
  Al  Al10  1  0.00000000  0.00000000  0.62050600  1.0
  Al  Al11  1  0.00000000  0.00000000  0.37949400  1.0
  O  O12  1  0.00000000  0.00000000  0.25000000  1.0
  O  O13  1  0.00000000  0.00000000  0.75000000  1.0
  O  O14  1  0.17152600  0.82847400  0.08020700  1.0
  O  O15  1  0.17152600  0.34305200  0.08020700  1.0
  O  O16  1  0.65694800  0.82847400  0.08020700  1.0
  O  O17  1  0.82847400  0.17152600  0.91979300  1.0
  O  O18  1  0.82847400  0.65694800  0.91979300  1.0
  O  O19  1  0.34305200  0.17152600  0.91979300  1.0
  O  O20  1  0.82847400  0.17152600  0.58020700  1.0
  O  O21  1  0.82847400  0.65694800  0.58020700  1.0
  O  O22  1  0.34305200  0.17152600  0.58020700  1.0
  O  O23  1  0.17152600  0.82847400  0.41979300  1.0
  O  O24  1  0.17152600  0.34305200  0.41979300  1.0
  O  O25  1  0.65694800  0.82847400  0.41979300  1.0
  O  O26  1  0.33333300  0.66666700  0.93366600  1.0
  O  O27  1  0.66666700  0.33333300  0.06633400  1.0
  O  O28  1  0.66666700  0.33333300  0.43366600  1.0
  O  O29  1  0.33333300  0.66666700  0.56633400  1.0