# generated using pymatgen
data_LiMgB3(H9N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69744842
_cell_length_b   7.69744842
_cell_length_c   7.84838400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgB3(H9N)2
_chemical_formula_sum   'Li2 Mg2 B6 H36 N4'
_cell_volume   402.72114654
_cell_formula_units_Z   2
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  0.00000000  0.00000000  0.20810600  1
  Li  Li1  1  0.00000000  0.00000000  0.70810600  1
  Mg  Mg2  1  0.66666700  0.33333300  0.47744600  1
  Mg  Mg3  1  0.33333300  0.66666700  0.97744600  1
  B  B4  1  0.95054800  0.25507500  0.47114700  1
  B  B5  1  0.74492500  0.69547300  0.47114700  1
  B  B6  1  0.30452700  0.04945200  0.47114700  1
  B  B7  1  0.04945200  0.74492500  0.97114700  1
  B  B8  1  0.25507500  0.30452700  0.97114700  1
  B  B9  1  0.69547300  0.95054800  0.97114700  1
  H  H10  1  0.95448300  0.75378100  0.09268100  1
  H  H11  1  0.79929800  0.04551700  0.09268100  1
  H  H12  1  0.24621900  0.20070200  0.09268100  1
  H  H13  1  0.69533500  0.22644900  0.15690400  1
  H  H14  1  0.77355100  0.46888600  0.15690400  1
  H  H15  1  0.53111400  0.30466500  0.15690400  1
  H  H16  1  0.31817900  0.78215800  0.29755800  1
  H  H17  1  0.21784200  0.53602000  0.29755800  1
  H  H18  1  0.46398000  0.68182100  0.29755800  1
  H  H19  1  0.01643300  0.23415500  0.33539100  1
  H  H20  1  0.21772200  0.98356700  0.33539100  1
  H  H21  1  0.76584500  0.78227800  0.33539100  1
  H  H22  1  0.97421000  0.42612300  0.47177600  1
  H  H23  1  0.45191300  0.02579000  0.47177600  1
  H  H24  1  0.57387700  0.54808700  0.47177600  1
  H  H25  1  0.77306700  0.12630600  0.48514400  1
  H  H26  1  0.87369400  0.64676100  0.48514400  1
  H  H27  1  0.35323900  0.22693300  0.48514400  1
  H  H28  1  0.04551700  0.24621900  0.59268100  1
  H  H29  1  0.20070200  0.95448300  0.59268100  1
  H  H30  1  0.75378100  0.79929800  0.59268100  1
  H  H31  1  0.30466500  0.77355100  0.65690400  1
  H  H32  1  0.22644900  0.53111400  0.65690400  1
  H  H33  1  0.46888600  0.69533500  0.65690400  1
  H  H34  1  0.68182100  0.21784200  0.79755800  1
  H  H35  1  0.78215800  0.46398000  0.79755800  1
  H  H36  1  0.53602000  0.31817900  0.79755800  1
  H  H37  1  0.98356700  0.76584500  0.83539100  1
  H  H38  1  0.78227800  0.01643300  0.83539100  1
  H  H39  1  0.23415500  0.21772200  0.83539100  1
  H  H40  1  0.02579000  0.57387700  0.97177600  1
  H  H41  1  0.54808700  0.97421000  0.97177600  1
  H  H42  1  0.42612300  0.45191300  0.97177600  1
  H  H43  1  0.22693300  0.87369400  0.98514400  1
  H  H44  1  0.12630600  0.35323900  0.98514400  1
  H  H45  1  0.64676100  0.77306700  0.98514400  1
  N  N46  1  0.66666700  0.33333300  0.20652000  1
  N  N47  1  0.33333300  0.66666700  0.24812800  1
  N  N48  1  0.33333300  0.66666700  0.70652000  1
  N  N49  1  0.66666700  0.33333300  0.74812800  1
