# generated using pymatgen
data_BrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29666386
_cell_length_b   3.29666386
_cell_length_c   3.29666350
_cell_angle_alpha   68.43182332
_cell_angle_beta   68.43182332
_cell_angle_gamma   68.43181933
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BrO
_chemical_formula_sum   'Br1 O1'
_cell_volume   29.84606284
_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
  Br  Br0  1  0.50000000  0.50000000  0.50000000  1.0
  O  O1  1  0.00000000  0.00000000  0.00000000  1.0