# generated using pymatgen
data_LiBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18000344
_cell_length_b   4.18000344
_cell_length_c   6.70992200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999106
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH4
_chemical_formula_sum   'Li2 B2 H8'
_cell_volume   101.53164437
_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  0.50588200  1
  Li  Li1  1  0.33333300  0.66666700  0.00588200  1
  B  B2  1  0.66666700  0.33333300  0.05779300  1
  B  B3  1  0.33333300  0.66666700  0.55779300  1
  H  H4  1  0.66666700  0.33333300  0.87631100  1
  H  H5  1  0.33333300  0.66666700  0.37631100  1
  H  H6  1  0.82532300  0.17467700  0.11833000  1
  H  H7  1  0.82532300  0.65064600  0.11833000  1
  H  H8  1  0.34935400  0.17467700  0.11833000  1
  H  H9  1  0.17467700  0.82532300  0.61833000  1
  H  H10  1  0.17467700  0.34935400  0.61833000  1
  H  H11  1  0.65064600  0.82532300  0.61833000  1
