# generated using pymatgen
data_LiB6(H5O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22854935
_cell_length_b   7.22854935
_cell_length_c   7.39779301
_cell_angle_alpha   68.78437274
_cell_angle_beta   68.78437274
_cell_angle_gamma   80.91760918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB6(H5O)2
_chemical_formula_sum   'Li2 B12 H20 O4'
_cell_volume   335.76696530
_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
  Li  Li0  1  0.64424500  0.64424500  0.48220300  1
  Li  Li1  1  0.35575500  0.35575500  0.51779700  1
  B  B2  1  0.19508700  0.00625100  0.78685000  1
  B  B3  1  0.00625100  0.19508800  0.78685000  1
  B  B4  1  0.80491200  0.99374900  0.21315000  1
  B  B5  1  0.99374900  0.80491200  0.21315000  1
  B  B6  1  0.22066300  0.91436800  0.03391200  1
  B  B7  1  0.91436800  0.22066300  0.03391200  1
  B  B8  1  0.77933700  0.08563200  0.96608800  1
  B  B9  1  0.08563200  0.77933700  0.96608800  1
  B  B10  1  0.82876000  0.82876000  0.07623500  1
  B  B11  1  0.17124000  0.17124000  0.92376500  1
  B  B12  1  0.04716900  0.04716900  0.18775000  1
  B  B13  1  0.95283100  0.95283100  0.81225000  1
  H  H14  1  0.70013800  0.24734700  0.61763600  1
  H  H15  1  0.24734700  0.70013800  0.61763600  1
  H  H16  1  0.29986200  0.75265300  0.38236400  1
  H  H17  1  0.75265300  0.29986200  0.38236400  1
  H  H18  1  0.71628100  0.55186600  0.83819500  1
  H  H19  1  0.55186600  0.71628100  0.83819500  1
  H  H20  1  0.28371900  0.44813400  0.16180500  1
  H  H21  1  0.44813400  0.28371900  0.16180500  1
  H  H22  1  0.33481000  0.01235800  0.63437900  1
  H  H23  1  0.01235800  0.33481000  0.63437900  1
  H  H24  1  0.66519000  0.98764200  0.36562100  1
  H  H25  1  0.98764200  0.66519000  0.36562100  1
  H  H26  1  0.37824300  0.85435600  0.05720500  1
  H  H27  1  0.85435600  0.37824300  0.05720500  1
  H  H28  1  0.62175700  0.14564400  0.94279500  1
  H  H29  1  0.14564400  0.62175700  0.94279500  1
  H  H30  1  0.70654700  0.70654700  0.13195800  1
  H  H31  1  0.29345300  0.29345300  0.86804200  1
  H  H32  1  0.08075100  0.08075100  0.31959900  1
  H  H33  1  0.91924900  0.91924900  0.68040100  1
  O  O34  1  0.66225100  0.33774900  0.50000000  1
  O  O35  1  0.33774900  0.66225100  0.50000000  1
  O  O36  1  0.62391100  0.62391100  0.76588100  1
  O  O37  1  0.37608900  0.37608900  0.23411900  1
