# generated using pymatgen
data_Li2BH6N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86416563
_cell_length_b   8.86416563
_cell_length_c   8.86416523
_cell_angle_alpha   108.92575420
_cell_angle_beta   108.92575420
_cell_angle_gamma   108.92575047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BH6N
_chemical_formula_sum   'Li12 B6 H36 N6'
_cell_volume   546.71641865
_cell_formula_units_Z   6
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  0.94282500  0.77690100  0.42429700  1
  Li  Li1  1  0.42429700  0.94282500  0.77690100  1
  Li  Li2  1  0.77690100  0.42429700  0.94282500  1
  Li  Li3  1  0.05717500  0.22309900  0.57570300  1
  Li  Li4  1  0.57570300  0.05717500  0.22309900  1
  Li  Li5  1  0.22309900  0.57570300  0.05717500  1
  Li  Li6  1  0.38545800  0.30260900  0.57094200  1
  Li  Li7  1  0.57094200  0.38545800  0.30260900  1
  Li  Li8  1  0.30260900  0.57094200  0.38545800  1
  Li  Li9  1  0.61454200  0.69739100  0.42905800  1
  Li  Li10  1  0.42905800  0.61454200  0.69739100  1
  Li  Li11  1  0.69739100  0.42905800  0.61454200  1
  B  B12  1  0.24661200  0.07849000  0.64961900  1
  B  B13  1  0.64961900  0.24661200  0.07849000  1
  B  B14  1  0.07849000  0.64961900  0.24661200  1
  B  B15  1  0.75338800  0.92151000  0.35038100  1
  B  B16  1  0.35038100  0.75338800  0.92151000  1
  B  B17  1  0.92151000  0.35038100  0.75338800  1
  H  H18  1  0.71140700  0.65556900  0.87768500  1
  H  H19  1  0.87768500  0.71140700  0.65556900  1
  H  H20  1  0.65556900  0.87768500  0.71140700  1
  H  H21  1  0.28859300  0.34443100  0.12231500  1
  H  H22  1  0.12231500  0.28859300  0.34443100  1
  H  H23  1  0.34443100  0.12231500  0.28859300  1
  H  H24  1  0.11253800  0.44020000  0.49384800  1
  H  H25  1  0.49384800  0.11253800  0.44020000  1
  H  H26  1  0.44020000  0.49384800  0.11253800  1
  H  H27  1  0.88746200  0.55980000  0.50615200  1
  H  H28  1  0.50615200  0.88746200  0.55980000  1
  H  H29  1  0.55980000  0.50615200  0.88746200  1
  H  H30  1  0.26106200  0.21966200  0.75434400  1
  H  H31  1  0.75434400  0.26106200  0.21966200  1
  H  H32  1  0.21966200  0.75434400  0.26106200  1
  H  H33  1  0.73893800  0.78033800  0.24565600  1
  H  H34  1  0.24565600  0.73893800  0.78033800  1
  H  H35  1  0.78033800  0.24565600  0.73893800  1
  H  H36  1  0.14719800  0.03084100  0.49030100  1
  H  H37  1  0.49030100  0.14719800  0.03084100  1
  H  H38  1  0.03084100  0.49030100  0.14719800  1
  H  H39  1  0.85280200  0.96915900  0.50969900  1
  H  H40  1  0.50969900  0.85280200  0.96915900  1
  H  H41  1  0.96915900  0.50969900  0.85280200  1
  H  H42  1  0.39796300  0.10829600  0.66588300  1
  H  H43  1  0.66588300  0.39796300  0.10829600  1
  H  H44  1  0.10829600  0.66588300  0.39796300  1
  H  H45  1  0.60203700  0.89170400  0.33411700  1
  H  H46  1  0.33411700  0.60203700  0.89170400  1
  H  H47  1  0.89170400  0.33411700  0.60203700  1
  H  H48  1  0.18572000  0.95958800  0.68818500  1
  H  H49  1  0.68818500  0.18572000  0.95958800  1
  H  H50  1  0.95958800  0.68818500  0.18572000  1
  H  H51  1  0.81428000  0.04041200  0.31181500  1
  H  H52  1  0.31181500  0.81428000  0.04041200  1
  H  H53  1  0.04041200  0.31181500  0.81428000  1
  N  N54  1  0.61628200  0.52061000  0.80504500  1
  N  N55  1  0.80504500  0.61628200  0.52061000  1
  N  N56  1  0.52061000  0.80504500  0.61628200  1
  N  N57  1  0.38371800  0.47939000  0.19495500  1
  N  N58  1  0.19495500  0.38371800  0.47939000  1
  N  N59  1  0.47939000  0.19495500  0.38371800  1
