# generated using pymatgen
data_Li3BH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18278635
_cell_length_b   5.18278635
_cell_length_c   5.18278633
_cell_angle_alpha   92.16385581
_cell_angle_beta   92.16385581
_cell_angle_gamma   92.16386394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3BH6
_chemical_formula_sum   'Li6 B2 H12'
_cell_volume   138.91071050
_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  0.91561900  0.41969100  0.74160400  1
  Li  Li1  1  0.74160400  0.91561900  0.41969100  1
  Li  Li2  1  0.41969100  0.74160400  0.91561900  1
  Li  Li3  1  0.08438100  0.58030900  0.25839600  1
  Li  Li4  1  0.25839600  0.08438100  0.58030900  1
  Li  Li5  1  0.58030900  0.25839600  0.08438100  1
  B  B6  1  0.00000000  0.00000000  0.00000000  1
  B  B7  1  0.50000000  0.50000000  0.50000000  1
  H  H8  1  0.73489300  0.92184900  0.05072900  1
  H  H9  1  0.05072900  0.73489300  0.92184900  1
  H  H10  1  0.92184900  0.05072900  0.73489300  1
  H  H11  1  0.26510700  0.07815100  0.94927100  1
  H  H12  1  0.94927100  0.26510700  0.07815100  1
  H  H13  1  0.07815100  0.94927100  0.26510700  1
  H  H14  1  0.55323900  0.23584400  0.43073500  1
  H  H15  1  0.43073500  0.55323900  0.23584400  1
  H  H16  1  0.23584400  0.43073500  0.55323900  1
  H  H17  1  0.44676100  0.76415600  0.56926500  1
  H  H18  1  0.56926500  0.44676100  0.76415600  1
  H  H19  1  0.76415600  0.56926500  0.44676100  1
