# generated using pymatgen
data_Li3BH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36224230
_cell_length_b   5.36224230
_cell_length_c   5.36224181
_cell_angle_alpha   94.38395931
_cell_angle_beta   94.38396787
_cell_angle_gamma   94.38396318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3BH6
_chemical_formula_sum   'Li6 B2 H12'
_cell_volume   152.75715552
_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  0.26827400  0.50623300  0.07259300  1
  Li  Li1  1  0.07259300  0.26827400  0.50623300  1
  Li  Li2  1  0.50623300  0.07259300  0.26827400  1
  Li  Li3  1  0.73172600  0.49376700  0.92740700  1
  Li  Li4  1  0.92740700  0.73172600  0.49376700  1
  Li  Li5  1  0.49376700  0.92740700  0.73172600  1
  B  B6  1  0.00000000  0.00000000  0.00000000  1
  B  B7  1  0.50000000  0.50000000  0.50000000  1
  H  H8  1  0.78532900  0.89415000  0.04759700  1
  H  H9  1  0.04759600  0.78532800  0.89415000  1
  H  H10  1  0.89414900  0.04759600  0.78532900  1
  H  H11  1  0.21467100  0.10585000  0.95240300  1
  H  H12  1  0.95240400  0.21467200  0.10585000  1
  H  H13  1  0.10585100  0.95240400  0.21467100  1
  H  H14  1  0.45847000  0.24032000  0.93961800  1
  H  H15  1  0.93961800  0.45847000  0.24031800  1
  H  H16  1  0.24031900  0.93961900  0.45847000  1
  H  H17  1  0.54153000  0.75968000  0.06038200  1
  H  H18  1  0.06038200  0.54153000  0.75968200  1
  H  H19  1  0.75968100  0.06038100  0.54153000  1
