# generated using pymatgen
data_LiBH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31741765
_cell_length_b   5.71096580
_cell_length_c   8.49144614
_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   209.37039931
_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  0.75000000  0.91973945  0.85447542  1
  Li  Li1  1  0.75000000  0.58026055  0.35447542  1
  Li  Li2  1  0.25000000  0.08026055  0.14552458  1
  Li  Li3  1  0.25000000  0.41973945  0.64552458  1
  B  B4  1  0.25000000  0.34745546  0.36306075  1
  B  B5  1  0.25000000  0.15254454  0.86306075  1
  B  B6  1  0.75000000  0.65254454  0.63693925  1
  B  B7  1  0.75000000  0.84745546  0.13693925  1
  H  H8  1  0.47926711  0.31852877  0.28131952  1
  H  H9  1  0.02073289  0.18147123  0.78131952  1
  H  H10  1  0.97926711  0.68147123  0.71868048  1
  H  H11  1  0.52073289  0.81852877  0.21868048  1
  H  H12  1  0.52073289  0.68147123  0.71868048  1
  H  H13  1  0.97926711  0.81852877  0.21868048  1
  H  H14  1  0.02073289  0.31852877  0.28131952  1
  H  H15  1  0.47926711  0.18147123  0.78131952  1
  H  H16  1  0.25000000  0.20368014  0.46875141  1
  H  H17  1  0.25000000  0.29631986  0.96875141  1
  H  H18  1  0.75000000  0.79631986  0.53124859  1
  H  H19  1  0.75000000  0.70368014  0.03124859  1
  H  H20  1  0.25000000  0.54853044  0.41201808  1
  H  H21  1  0.25000000  0.95146956  0.91201808  1
  H  H22  1  0.75000000  0.45146956  0.58798192  1
  H  H23  1  0.75000000  0.04853044  0.08798192  1
