# generated using pymatgen
data_BaAl2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80915380
_cell_length_b   8.80915380
_cell_length_c   8.80915397
_cell_angle_alpha   33.34059099
_cell_angle_beta   33.34059099
_cell_angle_gamma   33.34058731
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2B2O7
_chemical_formula_sum   'Ba1 Al2 B2 O7'
_cell_volume   183.86878729
_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  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.56782500  0.56782500  0.56782500  1.0
  Al  Al2  1  0.43217500  0.43217500  0.43217500  1.0
  B  B3  1  0.73777500  0.73777500  0.73777500  1.0
  B  B4  1  0.26222500  0.26222500  0.26222500  1.0
  O  O5  1  0.95940800  0.48373800  0.35231600  1.0
  O  O6  1  0.48373800  0.35231600  0.95940800  1.0
  O  O7  1  0.35231600  0.95940800  0.48373800  1.0
  O  O8  1  0.50000000  0.50000000  0.50000000  1.0
  O  O9  1  0.51626200  0.04059200  0.64768400  1.0
  O  O10  1  0.04059200  0.64768400  0.51626200  1.0
  O  O11  1  0.64768400  0.51626200  0.04059200  1.0