# generated using pymatgen
data_BH6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77577000
_cell_length_b   6.37435500
_cell_length_c   7.68175000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BH6N
_chemical_formula_sum   'B4 H24 N4'
_cell_volume   233.85131624
_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
  B  B0  1  0.66943300  0.75000000  0.04312600  1.0
  B  B1  1  0.83056700  0.75000000  0.54312600  1.0
  B  B2  1  0.33056700  0.25000000  0.95687400  1.0
  B  B3  1  0.16943300  0.25000000  0.45687400  1.0
  H  H4  1  0.58298000  0.75000000  0.89348500  1.0
  H  H5  1  0.91702000  0.75000000  0.39348500  1.0
  H  H6  1  0.41702000  0.25000000  0.10651500  1.0
  H  H7  1  0.08298000  0.25000000  0.60651500  1.0
  H  H8  1  0.19189600  0.09257300  0.92748200  1.0
  H  H9  1  0.30810400  0.40742700  0.42748200  1.0
  H  H10  1  0.80810400  0.59257300  0.07251800  1.0
  H  H11  1  0.69189600  0.90742700  0.57251800  1.0
  H  H12  1  0.80810400  0.90742700  0.07251800  1.0
  H  H13  1  0.69189600  0.59257300  0.57251800  1.0
  H  H14  1  0.19189600  0.40742700  0.92748200  1.0
  H  H15  1  0.30810400  0.09257300  0.42748200  1.0
  H  H16  1  0.46120600  0.75000000  0.29955300  1.0
  H  H17  1  0.03879400  0.75000000  0.79955300  1.0
  H  H18  1  0.53879400  0.25000000  0.70044700  1.0
  H  H19  1  0.96120600  0.25000000  0.20044700  1.0
  H  H20  1  0.71990900  0.37935600  0.84920500  1.0
  H  H21  1  0.78009100  0.12064400  0.34920500  1.0
  H  H22  1  0.28009100  0.87935600  0.15079500  1.0
  H  H23  1  0.21990900  0.62064400  0.65079500  1.0
  H  H24  1  0.28009100  0.62064400  0.15079500  1.0
  H  H25  1  0.21990900  0.87935600  0.65079500  1.0
  H  H26  1  0.71990900  0.12064400  0.84920500  1.0
  H  H27  1  0.78009100  0.37935600  0.34920500  1.0
  N  N28  1  0.40440600  0.75000000  0.17020900  1.0
  N  N29  1  0.09559400  0.75000000  0.67020900  1.0
  N  N30  1  0.59559400  0.25000000  0.82979100  1.0
  N  N31  1  0.90440600  0.25000000  0.32979100  1.0