# generated using pymatgen
data_BaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63192400
_cell_length_b   5.81909700
_cell_length_c   11.07874595
_cell_angle_alpha   58.92188888
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaO2
_chemical_formula_sum   'Ba8 O16'
_cell_volume   421.39514704
_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  0.10925500  0.86425100  0.88585500  1.0
  Ba  Ba1  1  0.39074500  0.86425100  0.38585500  1.0
  Ba  Ba2  1  0.89074500  0.13574900  0.11414500  1.0
  Ba  Ba3  1  0.60925500  0.13574900  0.61414500  1.0
  Ba  Ba4  1  0.05720100  0.38599000  0.36261500  1.0
  Ba  Ba5  1  0.44279900  0.38599000  0.86261500  1.0
  Ba  Ba6  1  0.94279900  0.61401000  0.63738500  1.0
  Ba  Ba7  1  0.55720100  0.61401000  0.13738500  1.0
  O  O8  1  0.97570900  0.12964800  0.63037100  1.0
  O  O9  1  0.52429100  0.12964800  0.13037100  1.0
  O  O10  1  0.02429100  0.87035200  0.36962900  1.0
  O  O11  1  0.47570900  0.87035200  0.86962900  1.0
  O  O12  1  0.90089600  0.63463000  0.11421100  1.0
  O  O13  1  0.59910400  0.63463000  0.61421100  1.0
  O  O14  1  0.09910400  0.36537000  0.88578900  1.0
  O  O15  1  0.40089600  0.36537000  0.38578900  1.0
  O  O16  1  0.72921400  0.05765000  0.89180700  1.0
  O  O17  1  0.77078600  0.05765000  0.39180700  1.0
  O  O18  1  0.27078600  0.94235000  0.10819300  1.0
  O  O19  1  0.22921400  0.94235000  0.60819300  1.0
  O  O20  1  0.75889400  0.65919300  0.38863000  1.0
  O  O21  1  0.74110600  0.65919300  0.88863000  1.0
  O  O22  1  0.24110600  0.34080700  0.61137000  1.0
  O  O23  1  0.25889400  0.34080700  0.11137000  1.0