# generated using pymatgen
data_H5BrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39039900
_cell_length_b   12.43378394
_cell_length_c   6.98451585
_cell_angle_alpha   91.49197774
_cell_angle_beta   104.81983025
_cell_angle_gamma   90.67464664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H5BrO2
_chemical_formula_sum   'H20 Br4 O8'
_cell_volume   368.40433842
_cell_formula_units_Z   4
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
  H  H0  1  0.71834500  0.58410700  0.30386300  1.0
  H  H1  1  0.48300400  0.66860100  0.39662900  1.0
  H  H2  1  0.41635000  0.42030500  0.35670300  1.0
  H  H3  1  0.59039500  0.07680000  0.84062700  1.0
  H  H4  1  0.53768100  0.84358200  0.89136800  1.0
  H  H5  1  0.29001300  0.90137200  0.79338400  1.0
  H  H6  1  0.58255500  0.56155900  0.64315600  1.0
  H  H7  1  0.27777700  0.40546500  0.69787100  1.0
  H  H8  1  0.42009600  0.93822300  0.14618800  1.0
  H  H9  1  0.74321600  0.09554500  0.18318300  1.0
  H  H10  1  0.25718100  0.89229600  0.38597000  1.0
  H  H11  1  0.21940500  0.79163600  0.50124400  1.0
  H  H12  1  0.73494000  0.60196100  0.89310800  1.0
  H  H13  1  0.75685400  0.71007200  0.00868700  1.0
  H  H14  1  0.50803900  0.31698400  0.60121500  1.0
  H  H15  1  0.88181100  0.21944400  0.55894700  1.0
  H  H16  1  0.57553700  0.07217000  0.51046600  1.0
  H  H17  1  0.27390300  0.40659800  0.10821900  1.0
  H  H18  1  0.23392100  0.30470100  0.99007800  1.0
  H  H19  1  0.46641900  0.18149900  0.09620400  1.0
  Br  Br20  1  0.04222800  0.65389000  0.17145500  1.0
  Br  Br21  1  0.97771400  0.80575700  0.65586000  1.0
  Br  Br22  1  0.97093900  0.34363900  0.83538600  1.0
  Br  Br23  1  0.06442600  0.15207300  0.32788400  1.0
  O  O24  1  0.58600200  0.54997500  0.37044200  1.0
  O  O25  1  0.42364900  0.95328000  0.85964500  1.0
  O  O26  1  0.40431600  0.43605900  0.62953100  1.0
  O  O27  1  0.58338700  0.05727500  0.12280200  1.0
  O  O28  1  0.36318000  0.82395300  0.43860000  1.0
  O  O29  1  0.67673900  0.70933500  0.93417200  1.0
  O  O30  1  0.65347500  0.17956300  0.56467500  1.0
  O  O31  1  0.35060700  0.31487000  0.05997400  1.0