# generated using pymatgen
data_Ba(BrO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96936733
_cell_length_b   5.96936733
_cell_length_c   9.66133902
_cell_angle_alpha   65.76511744
_cell_angle_beta   65.76511744
_cell_angle_gamma   70.06083746
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(BrO)2
_chemical_formula_sum   'Ba2 Br4 O4'
_cell_volume   280.02981081
_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  0.66032800  0.33967200  0.25000000  1.0
  Ba  Ba1  1  0.33967200  0.66032800  0.75000000  1.0
  Br  Br2  1  0.12199500  0.64218100  0.13636600  1.0
  Br  Br3  1  0.35781900  0.87800500  0.36363400  1.0
  Br  Br4  1  0.87800500  0.35781900  0.86363400  1.0
  Br  Br5  1  0.64218100  0.12199500  0.63636600  1.0
  O  O6  1  0.15085600  0.27874700  0.03976600  1.0
  O  O7  1  0.72125300  0.84914400  0.46023400  1.0
  O  O8  1  0.84914400  0.72125300  0.96023400  1.0
  O  O9  1  0.27874700  0.15085600  0.53976600  1.0