# generated using pymatgen
data_BaAl2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69187500
_cell_length_b   6.92667998
_cell_length_c   9.54643302
_cell_angle_alpha   100.44848469
_cell_angle_beta   95.32089416
_cell_angle_gamma   105.21054734
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2O8
_chemical_formula_sum   'Ba2 Al4 O16'
_cell_volume   353.24243253
_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  0.97193300  0.69863300  0.84147900  1.0
  Ba  Ba1  1  0.02806700  0.30136700  0.15852100  1.0
  Al  Al2  1  0.62234700  0.12609500  0.77164600  1.0
  Al  Al3  1  0.37765300  0.87390500  0.22835400  1.0
  Al  Al4  1  0.68424100  0.16132200  0.46037300  1.0
  Al  Al5  1  0.31575900  0.83867800  0.53962700  1.0
  O  O6  1  0.00856700  0.27775300  0.44147600  1.0
  O  O7  1  0.99143300  0.72224700  0.55852400  1.0
  O  O8  1  0.97698500  0.29135500  0.82541400  1.0
  O  O9  1  0.02301500  0.70864500  0.17458600  1.0
  O  O10  1  0.66763800  0.31846000  0.94243700  1.0
  O  O11  1  0.33236200  0.68154000  0.05756300  1.0
  O  O12  1  0.76402900  0.01832300  0.90534000  1.0
  O  O13  1  0.23597100  0.98167700  0.09466000  1.0
  O  O14  1  0.66852300  0.30453200  0.64577500  1.0
  O  O15  1  0.33147700  0.69546800  0.35422500  1.0
  O  O16  1  0.66679700  0.97777700  0.58868100  1.0
  O  O17  1  0.33320300  0.02222300  0.41131900  1.0
  O  O18  1  0.66919900  0.34085400  0.33829100  1.0
  O  O19  1  0.33080100  0.65914600  0.66170900  1.0
  O  O20  1  0.70629200  0.01872500  0.27439600  1.0
  O  O21  1  0.29370800  0.98127500  0.72560400  1.0