# generated using pymatgen
data_BaH2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02436300
_cell_length_b   6.14645500
_cell_length_c   6.77330000
_cell_angle_alpha   90.00000000
_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   167.54140975
_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  0.00000000  0.16386700  0.74516000  1.0
  Ba  Ba1  1  0.00000000  0.83613300  0.24516000  1.0
  H  H2  1  0.20574100  0.63168500  0.80062800  1.0
  H  H3  1  0.79425900  0.63168500  0.80062800  1.0
  H  H4  1  0.79425900  0.36831500  0.30062800  1.0
  H  H5  1  0.20574100  0.36831500  0.30062800  1.0
  O  O6  1  0.00000000  0.71732600  0.84659000  1.0
  O  O7  1  0.00000000  0.28267400  0.34659000  1.0
  O  O8  1  0.50000000  0.47146800  0.74154100  1.0
  O  O9  1  0.50000000  0.52853200  0.24154100  1.0
  O  O10  1  0.50000000  0.94308400  0.52251100  1.0
  O  O11  1  0.50000000  0.05691600  0.02251100  1.0