# generated using pymatgen
data_Li(BH)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16488391
_cell_length_b   7.16488391
_cell_length_c   7.16488391
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(BH)6
_chemical_formula_sum   'Li2 B12 H12'
_cell_volume   260.08330578
_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  0.25000000  0.25000000  0.25000000  1
  Li  Li1  1  0.75000000  0.75000000  0.75000000  1
  B  B2  1  0.22912500  0.05518400  0.94481600  1
  B  B3  1  0.77087500  0.94481600  0.05518400  1
  B  B4  1  0.05518400  0.22912500  0.77087500  1
  B  B5  1  0.94481600  0.77087500  0.22912500  1
  B  B6  1  0.94481600  0.22912500  0.05518400  1
  B  B7  1  0.05518400  0.77087500  0.94481600  1
  B  B8  1  0.77087500  0.05518400  0.22912500  1
  B  B9  1  0.22912500  0.94481600  0.77087500  1
  B  B10  1  0.05518400  0.94481600  0.22912500  1
  B  B11  1  0.94481600  0.05518400  0.77087500  1
  B  B12  1  0.77087500  0.22912500  0.94481600  1
  B  B13  1  0.22912500  0.77087500  0.05518400  1
  H  H14  1  0.39058800  0.10027700  0.89972300  1
  H  H15  1  0.60941200  0.89972300  0.10027700  1
  H  H16  1  0.10027700  0.39058800  0.60941200  1
  H  H17  1  0.89972300  0.60941200  0.39058800  1
  H  H18  1  0.89972300  0.39058800  0.10027700  1
  H  H19  1  0.10027700  0.60941200  0.89972300  1
  H  H20  1  0.60941200  0.10027700  0.39058800  1
  H  H21  1  0.39058800  0.89972300  0.60941200  1
  H  H22  1  0.10027700  0.89972300  0.39058800  1
  H  H23  1  0.89972300  0.10027700  0.60941200  1
  H  H24  1  0.60941200  0.39058800  0.89972300  1
  H  H25  1  0.39058800  0.60941200  0.10027700  1
