# generated using pymatgen
data_LiH13(CN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64683000
_cell_length_b   8.64683000
_cell_length_c   5.36978300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH13(CN2)2
_chemical_formula_sum   'Li2 H26 C4 N8'
_cell_volume   401.48615821
_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  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  H  H2  1  0.50000000  0.00000000  0.01829000  1
  H  H3  1  0.00000000  0.50000000  0.98171000  1
  H  H4  1  0.72718000  0.08996900  0.36778700  1
  H  H5  1  0.27282000  0.91003100  0.36778700  1
  H  H6  1  0.41003100  0.22718000  0.36778700  1
  H  H7  1  0.58996900  0.77282000  0.36778700  1
  H  H8  1  0.77282000  0.41003100  0.63221300  1
  H  H9  1  0.22718000  0.58996900  0.63221300  1
  H  H10  1  0.08996900  0.27282000  0.63221300  1
  H  H11  1  0.91003100  0.72718000  0.63221300  1
  H  H12  1  0.85589800  0.22573800  0.29166300  1
  H  H13  1  0.14410200  0.77426200  0.29166300  1
  H  H14  1  0.27426200  0.35589800  0.29166300  1
  H  H15  1  0.72573800  0.64410200  0.29166300  1
  H  H16  1  0.64410200  0.27426200  0.70833700  1
  H  H17  1  0.35589800  0.72573800  0.70833700  1
  H  H18  1  0.22573800  0.14410200  0.70833700  1
  H  H19  1  0.77426200  0.85589800  0.70833700  1
  H  H20  1  0.82039200  0.08053600  0.10221200  1
  H  H21  1  0.17960800  0.91946400  0.10221200  1
  H  H22  1  0.41946400  0.32039200  0.10221200  1
  H  H23  1  0.58053600  0.67960800  0.10221200  1
  H  H24  1  0.67960800  0.41946400  0.89778800  1
  H  H25  1  0.32039200  0.58053600  0.89778800  1
  H  H26  1  0.08053600  0.17960800  0.89778800  1
  H  H27  1  0.91946400  0.82039200  0.89778800  1
  C  C28  1  0.50000000  0.00000000  0.58443200  1
  C  C29  1  0.00000000  0.50000000  0.41556800  1
  C  C30  1  0.50000000  0.00000000  0.81696300  1
  C  C31  1  0.00000000  0.50000000  0.18303700  1
  N  N32  1  0.83317000  0.10925300  0.28558800  1
  N  N33  1  0.16683000  0.89074700  0.28558800  1
  N  N34  1  0.39074700  0.33317000  0.28558800  1
  N  N35  1  0.60925300  0.66683000  0.28558800  1
  N  N36  1  0.66683000  0.39074700  0.71441200  1
  N  N37  1  0.33317000  0.60925300  0.71441200  1
  N  N38  1  0.10925300  0.16683000  0.71441200  1
  N  N39  1  0.89074700  0.83317000  0.71441200  1
