# generated using pymatgen
data_NaLiB2(H5N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43082100
_cell_length_b   7.29333900
_cell_length_c   14.80956900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiB2(H5N)2
_chemical_formula_sum   'Na4 Li4 B8 H40 N8'
_cell_volume   586.58953208
_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
  Na  Na0  1  0.43335100  0.69783600  0.16824600  1
  Na  Na1  1  0.93335100  0.30216400  0.83175400  1
  Na  Na2  1  0.93335100  0.69783600  0.33175400  1
  Na  Na3  1  0.43335100  0.30216400  0.66824600  1
  Li  Li4  1  0.06416500  0.18237200  0.17742100  1
  Li  Li5  1  0.56416500  0.81762800  0.82257900  1
  Li  Li6  1  0.56416500  0.18237200  0.32257900  1
  Li  Li7  1  0.06416500  0.81762800  0.67742100  1
  B  B8  1  0.03571100  0.31367000  0.33916700  1
  B  B9  1  0.53571100  0.68633000  0.66083300  1
  B  B10  1  0.53571100  0.31367000  0.16083300  1
  B  B11  1  0.03571100  0.68633000  0.83916700  1
  B  B12  1  0.94974300  0.84122600  0.14155300  1
  B  B13  1  0.44974300  0.15877400  0.85844700  1
  B  B14  1  0.44974300  0.84122600  0.35844700  1
  B  B15  1  0.94974300  0.15877400  0.64155300  1
  H  H16  1  0.24987000  0.23123000  0.45567600  1
  H  H17  1  0.74987000  0.76877000  0.54432400  1
  H  H18  1  0.74987000  0.23123000  0.04432400  1
  H  H19  1  0.24987000  0.76877000  0.95567600  1
  H  H20  1  0.33912300  0.42463200  0.41341800  1
  H  H21  1  0.83912300  0.57536800  0.58658200  1
  H  H22  1  0.83912300  0.42463200  0.08658200  1
  H  H23  1  0.33912300  0.57536800  0.91341800  1
  H  H24  1  0.07586100  0.40830100  0.27165400  1
  H  H25  1  0.57586100  0.59169900  0.72834600  1
  H  H26  1  0.57586100  0.40830100  0.22834600  1
  H  H27  1  0.07586100  0.59169900  0.77165400  1
  H  H28  1  0.96671800  0.16052000  0.31301400  1
  H  H29  1  0.46671800  0.83948000  0.68698600  1
  H  H30  1  0.46671800  0.16052000  0.18698600  1
  H  H31  1  0.96671800  0.83948000  0.81301400  1
  H  H32  1  0.85584600  0.38287000  0.37920800  1
  H  H33  1  0.35584600  0.61713000  0.62079200  1
  H  H34  1  0.35584600  0.38287000  0.12079200  1
  H  H35  1  0.85584600  0.61713000  0.87920800  1
  H  H36  1  0.80477500  0.73646700  0.01504700  1
  H  H37  1  0.30477500  0.26353300  0.98495300  1
  H  H38  1  0.30477500  0.73646700  0.48495300  1
  H  H39  1  0.80477500  0.26353300  0.51504700  1
  H  H40  1  0.68086300  0.92998300  0.04343500  1
  H  H41  1  0.18086300  0.07001700  0.95656500  1
  H  H42  1  0.18086300  0.92998300  0.45656500  1
  H  H43  1  0.68086300  0.07001700  0.54343500  1
  H  H44  1  0.86496400  0.92732000  0.20642000  1
  H  H45  1  0.36496400  0.07268000  0.79358000  1
  H  H46  1  0.36496400  0.92732000  0.29358000  1
  H  H47  1  0.86496400  0.07268000  0.70642000  1
  H  H48  1  0.01787100  0.68994600  0.17048200  1
  H  H49  1  0.51787100  0.31005400  0.82951800  1
  H  H50  1  0.51787100  0.68994600  0.32951800  1
  H  H51  1  0.01787100  0.31005400  0.67048200  1
  H  H52  1  0.13767300  0.92562400  0.11576700  1
  H  H53  1  0.63767300  0.07437600  0.88423300  1
  H  H54  1  0.63767300  0.92562400  0.38423300  1
  H  H55  1  0.13767300  0.07437600  0.61576700  1
  N  N56  1  0.27703300  0.29742100  0.39549500  1
  N  N57  1  0.77703300  0.70257900  0.60450500  1
  N  N58  1  0.77703300  0.29742100  0.10450500  1
  N  N59  1  0.27703300  0.70257900  0.89549500  1
  N  N60  1  0.74642200  0.81041800  0.06969500  1
  N  N61  1  0.24642200  0.18958200  0.93030500  1
  N  N62  1  0.24642200  0.81041800  0.43030500  1
  N  N63  1  0.74642200  0.18958200  0.56969500  1
