# generated using pymatgen
data_BaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47249600
_cell_length_b   5.15726700
_cell_length_c   7.52541500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaO3
_chemical_formula_sum   'Ba2 O6'
_cell_volume   134.76956450
_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  0.50000000  0.32970500  0.98379900  1.0
  Ba  Ba1  1  0.50000000  0.67029500  0.48379900  1.0
  O  O2  1  0.50000000  0.16323800  0.62427000  1.0
  O  O3  1  0.50000000  0.83676200  0.12427000  1.0
  O  O4  1  0.00000000  0.89006500  0.06590600  1.0
  O  O5  1  0.00000000  0.10993500  0.56590600  1.0
  O  O6  1  0.00000000  0.43560300  0.25382400  1.0
  O  O7  1  0.00000000  0.56439700  0.75382400  1.0