# generated using pymatgen
data_LiBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07291100
_cell_length_b   4.08036301
_cell_length_c   5.06669019
_cell_angle_alpha   90.21624185
_cell_angle_beta   90.11994749
_cell_angle_gamma   90.00370704
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH4
_chemical_formula_sum   'Li2 B2 H8'
_cell_volume   84.20231377
_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  0.74821400  0.75906800  0.74958900  1
  Li  Li1  1  0.25178600  0.24093200  0.25041100  1
  B  B2  1  0.25768500  0.24424600  0.75148900  1
  B  B3  1  0.74231500  0.75575400  0.24851100  1
  H  H4  1  0.75736100  0.50740000  0.38826200  1
  H  H5  1  0.99555700  0.74898200  0.10963300  1
  H  H6  1  0.75601200  0.00125900  0.38169500  1
  H  H7  1  0.24398800  0.99874100  0.61830500  1
  H  H8  1  0.00444300  0.25101800  0.89036700  1
  H  H9  1  0.50548400  0.24996800  0.88776600  1
  H  H10  1  0.24263900  0.49260000  0.61173800  1
  H  H11  1  0.49451600  0.75003200  0.11223400  1
