# generated using pymatgen
data_Li(BH)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08784267
_cell_length_b   7.08784267
_cell_length_c   14.98321400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000622
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(BH)5
_chemical_formula_sum   'Li6 B30 H30'
_cell_volume   651.87409715
_cell_formula_units_Z   6
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  0.50000000  0.00000000  0.24086100  1
  Li  Li1  1  0.00000000  0.50000000  0.57419400  1
  Li  Li2  1  0.50000000  0.50000000  0.90752800  1
  Li  Li3  1  0.00000000  0.50000000  0.09247200  1
  Li  Li4  1  0.50000000  0.00000000  0.75913900  1
  Li  Li5  1  0.50000000  0.50000000  0.42580600  1
  B  B6  1  0.69756800  0.34878400  0.33333300  1
  B  B7  1  0.65121600  0.34878400  0.66666700  1
  B  B8  1  0.65121600  0.30243200  0.00000000  1
  B  B9  1  0.30243200  0.65121600  0.33333300  1
  B  B10  1  0.34878400  0.65121600  0.66666700  1
  B  B11  1  0.34878400  0.69756800  0.00000000  1
  B  B12  1  0.87611600  0.26980100  0.30047500  1
  B  B13  1  0.73019900  0.60631500  0.63380900  1
  B  B14  1  0.39368500  0.12388400  0.96714200  1
  B  B15  1  0.12388400  0.73019900  0.30047500  1
  B  B16  1  0.26980100  0.39368500  0.63380900  1
  B  B17  1  0.60631500  0.87611600  0.96714200  1
  B  B18  1  0.26980100  0.87611600  0.03285800  1
  B  B19  1  0.60631500  0.73019900  0.69952500  1
  B  B20  1  0.12388400  0.39368500  0.36619100  1
  B  B21  1  0.73019900  0.12388400  0.03285800  1
  B  B22  1  0.39368500  0.26980100  0.69952500  1
  B  B23  1  0.87611600  0.60631500  0.36619100  1
  B  B24  1  0.87942300  0.50971300  0.25334900  1
  B  B25  1  0.49028700  0.36971000  0.58668200  1
  B  B26  1  0.63029000  0.12057700  0.92001500  1
  B  B27  1  0.12057700  0.49028700  0.25334900  1
  B  B28  1  0.50971300  0.63029000  0.58668200  1
  B  B29  1  0.36971000  0.87942300  0.92001500  1
  B  B30  1  0.50971300  0.87942300  0.07998500  1
  B  B31  1  0.36971000  0.49028700  0.74665100  1
  B  B32  1  0.12057700  0.63029000  0.41331800  1
  B  B33  1  0.49028700  0.12057700  0.07998500  1
  B  B34  1  0.63029000  0.50971300  0.74665100  1
  B  B35  1  0.87942300  0.36971000  0.41331800  1
  H  H36  1  0.50096100  0.25048100  0.33333300  1
  H  H37  1  0.74951900  0.25048100  0.66666700  1
  H  H38  1  0.74951900  0.49903900  0.00000000  1
  H  H39  1  0.49903900  0.74951900  0.33333300  1
  H  H40  1  0.25048100  0.74951900  0.66666700  1
  H  H41  1  0.25048100  0.50096100  0.00000000  1
  H  H42  1  0.81837800  0.09086200  0.27090200  1
  H  H43  1  0.90913800  0.72751600  0.60423600  1
  H  H44  1  0.27248400  0.18162200  0.93756900  1
  H  H45  1  0.18162200  0.90913800  0.27090200  1
  H  H46  1  0.09086200  0.27248400  0.60423600  1
  H  H47  1  0.72751600  0.81837800  0.93756900  1
  H  H48  1  0.09086200  0.81837800  0.06243100  1
  H  H49  1  0.72751600  0.90913800  0.72909800  1
  H  H50  1  0.18162200  0.27248400  0.39576400  1
  H  H51  1  0.90913800  0.18162200  0.06243100  1
  H  H52  1  0.27248400  0.09086200  0.72909800  1
  H  H53  1  0.81837800  0.72751600  0.39576400  1
  H  H54  1  0.80764400  0.53744300  0.18496800  1
  H  H55  1  0.46255700  0.27020000  0.51830200  1
  H  H56  1  0.72980000  0.19235600  0.85163500  1
  H  H57  1  0.19235600  0.46255700  0.18496800  1
  H  H58  1  0.53744300  0.72980000  0.51830200  1
  H  H59  1  0.27020000  0.80764400  0.85163500  1
  H  H60  1  0.53744300  0.80764400  0.14836500  1
  H  H61  1  0.27020000  0.46255700  0.81503200  1
  H  H62  1  0.19235600  0.72980000  0.48169800  1
  H  H63  1  0.46255700  0.19235600  0.14836500  1
  H  H64  1  0.72980000  0.53744300  0.81503200  1
  H  H65  1  0.80764400  0.27020000  0.48169800  1
