# generated using pymatgen
data_LiBH15C5NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98284700
_cell_length_b   9.49999600
_cell_length_c   10.55959276
_cell_angle_alpha   72.04862205
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBH15C5NO3
_chemical_formula_sum   'Li4 B4 H60 C20 N4 O12'
_cell_volume   952.68846878
_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  0.67897500  0.14389700  0.81726600  1
  Li  Li1  1  0.17897500  0.35610300  0.18273400  1
  Li  Li2  1  0.32102500  0.85610300  0.18273400  1
  Li  Li3  1  0.82102500  0.64389700  0.81726600  1
  B  B4  1  0.33404500  0.59605400  0.21565300  1
  B  B5  1  0.83404500  0.90394600  0.78434700  1
  B  B6  1  0.16595500  0.09605400  0.21565300  1
  B  B7  1  0.66595500  0.40394600  0.78434700  1
  H  H8  1  0.58260600  0.77206700  0.33431200  1
  H  H9  1  0.91739400  0.27206700  0.33431200  1
  H  H10  1  0.41739400  0.22793300  0.66568800  1
  H  H11  1  0.39713600  0.66466200  0.28138900  1
  H  H12  1  0.71026800  0.52560900  0.50795000  1
  H  H13  1  0.63814000  0.00345800  0.60179200  1
  H  H14  1  0.90375300  0.90418500  0.88039800  1
  H  H15  1  0.99437000  0.10400400  0.59785400  1
  H  H16  1  0.84794000  0.44931500  0.33649600  1
  H  H17  1  0.18871800  0.93463500  0.82768200  1
  H  H18  1  0.81128200  0.06536500  0.17231800  1
  H  H19  1  0.01881700  0.64330800  0.03427300  1
  H  H20  1  0.14240400  0.02866300  0.94837300  1
  H  H21  1  0.13814000  0.49654200  0.39820800  1
  H  H22  1  0.90481100  0.26614100  0.60089700  1
  H  H23  1  0.98297200  0.15144100  0.74822600  1
  H  H24  1  0.09624700  0.09581500  0.11960200  1
  H  H25  1  0.70103700  0.18479200  0.52032900  1
  H  H26  1  0.40445700  0.83831100  0.83708200  1
  H  H27  1  0.90445700  0.66168900  0.16291800  1
  H  H28  1  0.89713600  0.83533800  0.71861100  1
  H  H29  1  0.77175300  0.33650800  0.82390100  1
  H  H30  1  0.60286400  0.33533800  0.71861100  1
  H  H31  1  0.15206000  0.55068500  0.66350400  1
  H  H32  1  0.48297200  0.34855900  0.25177400  1
  H  H33  1  0.00563000  0.89599600  0.40214600  1
  H  H34  1  0.59518900  0.76614100  0.60089700  1
  H  H35  1  0.40375300  0.59581500  0.11960200  1
  H  H36  1  0.65206000  0.94931500  0.33649600  1
  H  H37  1  0.09554300  0.33831100  0.83708200  1
  H  H38  1  0.28973200  0.47439100  0.49205000  1
  H  H39  1  0.59624700  0.40418500  0.88039800  1
  H  H40  1  0.08260600  0.72793300  0.66568800  1
  H  H41  1  0.78973200  0.02560900  0.50795000  1
  H  H42  1  0.29896300  0.81520800  0.47967100  1
  H  H43  1  0.59554300  0.16168900  0.16291800  1
  H  H44  1  0.51881700  0.85669200  0.96572700  1
  H  H45  1  0.86186000  0.50345800  0.60179200  1
  H  H46  1  0.85759600  0.97133700  0.05162700  1
  H  H47  1  0.21026800  0.97439100  0.49205000  1
  H  H48  1  0.35759600  0.52866300  0.94837300  1
  H  H49  1  0.22824700  0.66349200  0.17609900  1
  H  H50  1  0.10286400  0.16466200  0.28138900  1
  H  H51  1  0.09518900  0.73385900  0.39910300  1
  H  H52  1  0.51702800  0.65144100  0.74822600  1
  H  H53  1  0.72824700  0.83650800  0.82390100  1
  H  H54  1  0.49437000  0.39599600  0.40214600  1
  H  H55  1  0.20103700  0.31520800  0.47967100  1
  H  H56  1  0.27175300  0.16349200  0.17609900  1
  H  H57  1  0.50563000  0.60400400  0.59785400  1
  H  H58  1  0.48118300  0.14330800  0.03427300  1
  H  H59  1  0.34794000  0.05068500  0.66350400  1
  H  H60  1  0.40481100  0.23385900  0.39910300  1
  H  H61  1  0.64240400  0.47133700  0.05162700  1
  H  H62  1  0.36186000  0.99654200  0.39820800  1
  H  H63  1  0.01702800  0.84855900  0.25177400  1
  H  H64  1  0.31128200  0.43463500  0.82768200  1
  H  H65  1  0.79896300  0.68479200  0.52032900  1
  H  H66  1  0.98118300  0.35669200  0.96572700  1
  H  H67  1  0.68871800  0.56536500  0.17231800  1
  C  C68  1  0.12082200  0.62002100  0.72561900  1
  C  C69  1  0.06215900  0.40818100  0.89755200  1
  C  C70  1  0.42713400  0.34939200  0.34107100  1
  C  C71  1  0.27018800  0.92982200  0.42404000  1
  C  C72  1  0.87917800  0.37997900  0.27438100  1
  C  C73  1  0.22981200  0.42982200  0.42404000  1
  C  C74  1  0.77018800  0.57017800  0.57596000  1
  C  C75  1  0.56215900  0.09181900  0.10244800  1
  C  C76  1  0.72981200  0.07017800  0.57596000  1
  C  C77  1  0.62082200  0.87997900  0.27438100  1
  C  C78  1  0.93784100  0.59181900  0.10244800  1
  C  C79  1  0.07286600  0.84939200  0.34107100  1
  C  C80  1  0.27742900  0.50612000  0.88662800  1
  C  C81  1  0.72257100  0.49388000  0.11337200  1
  C  C82  1  0.22257100  0.00612000  0.88662800  1
  C  C83  1  0.57286600  0.65060800  0.65892900  1
  C  C84  1  0.92713400  0.15060800  0.65892900  1
  C  C85  1  0.37917800  0.12002100  0.72561900  1
  C  C86  1  0.77742900  0.99388000  0.11337200  1
  C  C87  1  0.43784100  0.90818100  0.89755200  1
  N  N88  1  0.80418800  0.06428100  0.69671300  1
  N  N89  1  0.69581200  0.56428100  0.69671300  1
  N  N90  1  0.30418800  0.43571900  0.30328700  1
  N  N91  1  0.19581200  0.93571900  0.30328700  1
  O  O92  1  0.01427900  0.54661700  0.81170200  1
  O  O93  1  0.76893500  0.35584000  0.19903500  1
  O  O94  1  0.17230000  0.43249000  0.97461500  1
  O  O95  1  0.98572100  0.45338300  0.18829800  1
  O  O96  1  0.32770000  0.93249000  0.97461500  1
  O  O97  1  0.48572100  0.04661700  0.81170200  1
  O  O98  1  0.82770000  0.56751000  0.02538500  1
  O  O99  1  0.26893500  0.14416000  0.80096500  1
  O  O100  1  0.23106500  0.64416000  0.80096500  1
  O  O101  1  0.67230000  0.06751000  0.02538500  1
  O  O102  1  0.73106500  0.85584000  0.19903500  1
  O  O103  1  0.51427900  0.95338300  0.18829800  1
