# generated using pymatgen
data_BaH2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01011200
_cell_length_b   6.24527400
_cell_length_c   6.97928853
_cell_angle_alpha   70.78312804
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaH2O3
_chemical_formula_sum   'Ba2 H4 O6'
_cell_volume   165.05158836
_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  0.25000000  0.85355700  0.29257100  1.0
  Ba  Ba1  1  0.75000000  0.14644300  0.70742900  1.0
  H  H2  1  0.75000000  0.63100500  0.05839900  1.0
  H  H3  1  0.25000000  0.36899500  0.94160100  1.0
  H  H4  1  0.75000000  0.26638200  0.16322300  1.0
  H  H5  1  0.25000000  0.73361800  0.83677700  1.0
  O  O6  1  0.75000000  0.64990300  0.61710800  1.0
  O  O7  1  0.25000000  0.35009700  0.38289200  1.0
  O  O8  1  0.75000000  0.78723300  0.05615500  1.0
  O  O9  1  0.25000000  0.21276700  0.94384500  1.0
  O  O10  1  0.75000000  0.16888500  0.30558700  1.0
  O  O11  1  0.25000000  0.83111500  0.69441300  1.0