# generated using pymatgen
data_LiBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33803649
_cell_length_b   6.62037165
_cell_length_c   6.95079678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH4
_chemical_formula_sum   'Li4 B4 H16'
_cell_volume   199.62280893
_cell_formula_units_Z   4
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  0.25000000  0.10908780  0.15975910  1
  Li  Li1  1  0.75000000  0.89091220  0.84024090  1
  Li  Li2  1  0.75000000  0.60908780  0.34024090  1
  Li  Li3  1  0.25000000  0.39091220  0.65975910  1
  B  B4  1  0.25000000  0.42829525  0.30346463  1
  B  B5  1  0.75000000  0.57170475  0.69653537  1
  B  B6  1  0.75000000  0.92829525  0.19653537  1
  B  B7  1  0.25000000  0.07170475  0.80346463  1
  H  H8  1  0.52525927  0.92740526  0.30098428  1
  H  H9  1  0.02525927  0.07259474  0.69901572  1
  H  H10  1  0.47474073  0.42740526  0.19901572  1
  H  H11  1  0.97474073  0.57259474  0.80098428  1
  H  H12  1  0.47474073  0.07259474  0.69901572  1
  H  H13  1  0.97474073  0.92740526  0.30098428  1
  H  H14  1  0.52525927  0.57259474  0.80098428  1
  H  H15  1  0.02525927  0.42740526  0.19901572  1
  H  H16  1  0.25000000  0.92437831  0.90818412  1
  H  H17  1  0.75000000  0.07562169  0.09181588  1
  H  H18  1  0.75000000  0.42437831  0.59181588  1
  H  H19  1  0.25000000  0.57562169  0.40818412  1
  H  H20  1  0.25000000  0.27406573  0.39976355  1
  H  H21  1  0.75000000  0.72593427  0.60023645  1
  H  H22  1  0.75000000  0.77406573  0.10023645  1
  H  H23  1  0.25000000  0.22593427  0.89976355  1
