# generated using pymatgen
data_LiBH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03507200
_cell_length_b   5.62219400
_cell_length_c   8.21698800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH2
_chemical_formula_sum   'Li4 B4 H8'
_cell_volume   140.21274064
_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  0.85017600  0.76180900  1
  Li  Li1  1  0.75000000  0.64982400  0.26180900  1
  Li  Li2  1  0.25000000  0.35017600  0.73819100  1
  Li  Li3  1  0.25000000  0.14982400  0.23819100  1
  B  B4  1  0.25000000  0.42225200  0.45555400  1
  B  B5  1  0.25000000  0.07774800  0.95555400  1
  B  B6  1  0.75000000  0.92225200  0.04444600  1
  B  B7  1  0.75000000  0.57774800  0.54444600  1
  H  H8  1  0.75000000  0.43266900  0.41052900  1
  H  H9  1  0.75000000  0.72027500  0.98678100  1
  H  H10  1  0.25000000  0.27972500  0.01321900  1
  H  H11  1  0.25000000  0.22027500  0.51321900  1
  H  H12  1  0.25000000  0.56733100  0.58947100  1
  H  H13  1  0.75000000  0.77972500  0.48678100  1
  H  H14  1  0.25000000  0.93266900  0.08947100  1
  H  H15  1  0.75000000  0.06733100  0.91052900  1
