# generated using pymatgen
data_BaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83801512
_cell_length_b   3.83801452
_cell_length_c   4.38878953
_cell_angle_alpha   115.92869987
_cell_angle_beta   115.92869790
_cell_angle_gamma   89.99999198
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaO2
_chemical_formula_sum   'Ba1 O2'
_cell_volume   50.80647162
_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
  O  O1  1  0.39166473  0.39166473  0.78332846  1.0
  O  O2  1  0.60833527  0.60833527  0.21667154  1.0