# generated using pymatgen
data_LiBH6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76998100
_cell_length_b   7.60497400
_cell_length_c   12.07845100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH6N
_chemical_formula_sum   'Li8 B8 H48 N8'
_cell_volume   621.86544510
_cell_formula_units_Z   8
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  0.73856600  0.56032300  0.73878000  1
  Li  Li1  1  0.23856600  0.93967700  0.26122000  1
  Li  Li2  1  0.26143400  0.06032300  0.76122000  1
  Li  Li3  1  0.76143400  0.43967700  0.23878000  1
  Li  Li4  1  0.25330000  0.54846500  0.74918300  1
  Li  Li5  1  0.75330000  0.95153500  0.25081700  1
  Li  Li6  1  0.74670000  0.04846500  0.75081700  1
  Li  Li7  1  0.24670000  0.45153500  0.24918300  1
  B  B8  1  0.98711400  0.68909300  0.27229900  1
  B  B9  1  0.48711400  0.81090700  0.72770100  1
  B  B10  1  0.01288600  0.18909300  0.22770100  1
  B  B11  1  0.51288600  0.31090700  0.77229900  1
  B  B12  1  0.98765300  0.53047500  0.88946500  1
  B  B13  1  0.48765300  0.96952500  0.11053500  1
  B  B14  1  0.01234700  0.03047500  0.61053500  1
  B  B15  1  0.51234700  0.46952500  0.38946500  1
  H  H16  1  0.84359000  0.69456500  0.21046100  1
  H  H17  1  0.34359000  0.80543500  0.78953900  1
  H  H18  1  0.15641000  0.19456500  0.28953900  1
  H  H19  1  0.65641000  0.30543500  0.71046100  1
  H  H20  1  0.13556500  0.69323100  0.21404600  1
  H  H21  1  0.63556500  0.80676900  0.78595400  1
  H  H22  1  0.86443500  0.19323100  0.28595400  1
  H  H23  1  0.36443500  0.30676900  0.71404600  1
  H  H24  1  0.98357600  0.81289900  0.33692800  1
  H  H25  1  0.48357600  0.68710100  0.66307200  1
  H  H26  1  0.01642400  0.31289900  0.16307200  1
  H  H27  1  0.51642400  0.18710100  0.83692800  1
  H  H28  1  0.98323800  0.55380400  0.32812000  1
  H  H29  1  0.48323800  0.94619600  0.67188000  1
  H  H30  1  0.01676200  0.05380400  0.17188000  1
  H  H31  1  0.51676200  0.44619600  0.82812000  1
  H  H32  1  0.84358300  0.62855600  0.88448100  1
  H  H33  1  0.34358300  0.87144400  0.11551900  1
  H  H34  1  0.15641700  0.12855600  0.61551900  1
  H  H35  1  0.65641700  0.37144400  0.38448100  1
  H  H36  1  0.13721500  0.62112800  0.90037000  1
  H  H37  1  0.63721500  0.87887200  0.09963000  1
  H  H38  1  0.86278500  0.12112800  0.59963000  1
  H  H39  1  0.36278500  0.37887200  0.40037000  1
  H  H40  1  0.97244000  0.43334000  0.96940300  1
  H  H41  1  0.47244000  0.06666000  0.03059700  1
  H  H42  1  0.02756000  0.93334000  0.53059700  1
  H  H43  1  0.52756000  0.56666000  0.46940300  1
  H  H44  1  0.00061000  0.44082000  0.80478100  1
  H  H45  1  0.50061000  0.05918000  0.19521900  1
  H  H46  1  0.99939000  0.94082000  0.69521900  1
  H  H47  1  0.49939000  0.55918000  0.30478100  1
  H  H48  1  0.90962900  0.37705000  0.60183000  1
  H  H49  1  0.40962900  0.12295000  0.39817000  1
  H  H50  1  0.09037100  0.87705000  0.89817000  1
  H  H51  1  0.59037100  0.62295000  0.10183000  1
  H  H52  1  0.84115300  0.53184600  0.51674700  1
  H  H53  1  0.34115300  0.96815400  0.48325300  1
  H  H54  1  0.15884700  0.03184600  0.98325300  1
  H  H55  1  0.65884700  0.46815400  0.01674700  1
  H  H56  1  0.10026800  0.70616100  0.58639000  1
  H  H57  1  0.60026800  0.79383900  0.41361000  1
  H  H58  1  0.89973200  0.20616100  0.91361000  1
  H  H59  1  0.39973200  0.29383900  0.08639000  1
  H  H60  1  0.18543000  0.52419500  0.53020300  1
  H  H61  1  0.68543000  0.97580500  0.46979700  1
  H  H62  1  0.81457000  0.02419500  0.96979700  1
  H  H63  1  0.31457000  0.47580500  0.03020300  1
  N  N64  1  0.90367100  0.51092600  0.59350000  1
  N  N65  1  0.40367100  0.98907400  0.40650000  1
  N  N66  1  0.09632900  0.01092500  0.90650000  1
  N  N67  1  0.59632900  0.48907400  0.09350000  1
  N  N68  1  0.10677600  0.57239400  0.59651300  1
  N  N69  1  0.60677600  0.92760600  0.40348700  1
  N  N70  1  0.89322400  0.07239400  0.90348700  1
  N  N71  1  0.39322400  0.42760600  0.09651300  1
