# generated using pymatgen
data_LiBH6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29986723
_cell_length_b   6.35081300
_cell_length_c   9.11170611
_cell_angle_alpha   90.00000000
_cell_angle_beta   100.12285091
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH6O
_chemical_formula_sum   'Li4 B4 H24 O4'
_cell_volume   358.87785460
_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
  Li  Li0  1  0.62968500  0.08042800  0.13698400  1
  Li  Li1  1  0.87031500  0.58042800  0.36301600  1
  Li  Li2  1  0.37031500  0.91957200  0.86301600  1
  Li  Li3  1  0.12968500  0.41957200  0.63698400  1
  B  B4  1  0.03011100  0.08962600  0.73795700  1
  B  B5  1  0.46988900  0.58962600  0.76204300  1
  B  B6  1  0.96988900  0.91037400  0.26204300  1
  B  B7  1  0.53011100  0.41037400  0.23795700  1
  H  H8  1  0.91007700  0.78139900  0.61669900  1
  H  H9  1  0.58992300  0.28139900  0.88330100  1
  H  H10  1  0.08992300  0.21860100  0.38330100  1
  H  H11  1  0.41007700  0.71860100  0.11669900  1
  H  H12  1  0.74618200  0.60128500  0.62542800  1
  H  H13  1  0.75381800  0.10128500  0.87457200  1
  H  H14  1  0.25381800  0.39871500  0.37457200  1
  H  H15  1  0.24618200  0.89871500  0.12542700  1
  H  H16  1  0.03539300  0.96438700  0.84100900  1
  H  H17  1  0.46460700  0.46438700  0.65899100  1
  H  H18  1  0.96460700  0.03561300  0.15899100  1
  H  H19  1  0.53539300  0.53561300  0.34100900  1
  H  H20  1  0.90219300  0.03438300  0.62750800  1
  H  H21  1  0.59780700  0.53438300  0.87249200  1
  H  H22  1  0.09780700  0.96561700  0.37249200  1
  H  H23  1  0.40219300  0.46561700  0.12750800  1
  H  H24  1  0.20936000  0.10592800  0.70312500  1
  H  H25  1  0.29064000  0.60592800  0.79687500  1
  H  H26  1  0.79064000  0.89407200  0.29687500  1
  H  H27  1  0.70936000  0.39407200  0.20312500  1
  H  H28  1  0.97337100  0.26149300  0.77896100  1
  H  H29  1  0.52662900  0.76149300  0.72103900  1
  H  H30  1  0.02662900  0.73850700  0.22103900  1
  H  H31  1  0.47337100  0.23850700  0.27896100  1
  O  O32  1  0.87906000  0.63225800  0.58676900  1
  O  O33  1  0.62094000  0.13225800  0.91323100  1
  O  O34  1  0.12094000  0.36774200  0.41323100  1
  O  O35  1  0.37906000  0.86774200  0.08676900  1
