# generated using pymatgen
data_LiBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20278237
_cell_length_b   4.20278237
_cell_length_c   7.42011763
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH4
_chemical_formula_sum   'Li2 B2 H8'
_cell_volume   113.50507117
_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  0.66666700  0.33333300  0.61395377  1
  Li  Li1  1  0.33333300  0.66666700  0.11395377  1
  B  B2  1  0.66666700  0.33333300  0.03559728  1
  B  B3  1  0.33333300  0.66666700  0.53559728  1
  H  H4  1  0.66666700  0.33333300  0.87127840  1
  H  H5  1  0.33333300  0.66666700  0.37127840  1
  H  H6  1  0.82483859  0.17516141  0.09138218  1
  H  H7  1  0.82483859  0.64967718  0.09138218  1
  H  H8  1  0.35032282  0.17516141  0.09138218  1
  H  H9  1  0.17516141  0.82483859  0.59138218  1
  H  H10  1  0.17516141  0.35032282  0.59138218  1
  H  H11  1  0.64967718  0.82483859  0.59138218  1
