# generated using pymatgen
data_LiBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96361700
_cell_length_b   3.96361700
_cell_length_c   6.39516700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.53861534
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH4
_chemical_formula_sum   'Li2 B2 H8'
_cell_volume   100.46529532
_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  0.00548100  0.00548100  0.50000000  1
  Li  Li1  1  0.00548100  0.00548100  0.00000000  1
  B  B2  1  0.51474900  0.98126400  0.75000000  1
  B  B3  1  0.98126400  0.51474900  0.25000000  1
  H  H4  1  0.52733000  0.16322500  0.59483600  1
  H  H5  1  0.16322500  0.52733000  0.40516400  1
  H  H6  1  0.52733000  0.16322500  0.90516400  1
  H  H7  1  0.16322500  0.52733000  0.09483600  1
  H  H8  1  0.73891100  0.77324500  0.75000000  1
  H  H9  1  0.77324500  0.73891100  0.25000000  1
  H  H10  1  0.25641400  0.81094600  0.75000000  1
  H  H11  1  0.81094600  0.25641400  0.25000000  1
