# generated using pymatgen
data_LiBH7N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51136200
_cell_length_b   5.99843000
_cell_length_c   14.70555200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH7N
_chemical_formula_sum   'Li4 B4 H28 N4'
_cell_volume   397.94825384
_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  0.87982800  0.42717900  1
  Li  Li1  1  0.75000000  0.37982800  0.07282100  1
  Li  Li2  1  0.25000000  0.12017200  0.57282100  1
  Li  Li3  1  0.25000000  0.62017200  0.92717900  1
  B  B4  1  0.75000000  0.91934100  0.59744700  1
  B  B5  1  0.75000000  0.41934100  0.90255300  1
  B  B6  1  0.25000000  0.08065900  0.40255300  1
  B  B7  1  0.25000000  0.58065900  0.09744700  1
  H  H8  1  0.75000000  0.60567100  0.28809200  1
  H  H9  1  0.75000000  0.10567100  0.21190800  1
  H  H10  1  0.25000000  0.39432900  0.71190800  1
  H  H11  1  0.25000000  0.89432900  0.78809200  1
  H  H12  1  0.57070600  0.48040100  0.36989100  1
  H  H13  1  0.92929400  0.98040100  0.13010900  1
  H  H14  1  0.07070600  0.51959900  0.63010900  1
  H  H15  1  0.42929400  0.01959900  0.86989100  1
  H  H16  1  0.42929400  0.51959900  0.63010900  1
  H  H17  1  0.07070600  0.01959900  0.86989100  1
  H  H18  1  0.92929400  0.48040100  0.36989100  1
  H  H19  1  0.57070600  0.98040100  0.13010900  1
  H  H20  1  0.75000000  0.74333100  0.55442200  1
  H  H21  1  0.75000000  0.24333100  0.94557800  1
  H  H22  1  0.25000000  0.25666900  0.44557800  1
  H  H23  1  0.25000000  0.75666900  0.05442200  1
  H  H24  1  0.75000000  0.08012100  0.54507600  1
  H  H25  1  0.75000000  0.58012100  0.95492400  1
  H  H26  1  0.25000000  0.91987900  0.45492400  1
  H  H27  1  0.25000000  0.41987900  0.04507600  1
  H  H28  1  0.53054500  0.92685400  0.64644600  1
  H  H29  1  0.96945500  0.42685400  0.85355400  1
  H  H30  1  0.03054500  0.07314600  0.35355400  1
  H  H31  1  0.46945500  0.57314600  0.14644600  1
  H  H32  1  0.46945500  0.07314600  0.35355400  1
  H  H33  1  0.03054500  0.57314600  0.14644600  1
  H  H34  1  0.96945500  0.92685400  0.64644600  1
  H  H35  1  0.53054500  0.42685400  0.85355400  1
  N  N36  1  0.75000000  0.58006500  0.35705100  1
  N  N37  1  0.75000000  0.08006500  0.14294900  1
  N  N38  1  0.25000000  0.41993500  0.64294900  1
  N  N39  1  0.25000000  0.91993500  0.85705100  1
