# generated using pymatgen
data_LiH4CN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57686500
_cell_length_b   7.33573600
_cell_length_c   9.13822013
_cell_angle_alpha   76.76398786
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH4CN3
_chemical_formula_sum   'Li4 H16 C4 N12'
_cell_volume   298.66233165
_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  0.88113400  0.14938000  0.51940000  1
  Li  Li1  1  0.38113400  0.85062000  0.98060000  1
  Li  Li2  1  0.11886600  0.85062000  0.48060000  1
  Li  Li3  1  0.61886600  0.14938000  0.01940000  1
  H  H4  1  0.37127500  0.31326500  0.50731300  1
  H  H5  1  0.87127500  0.68673500  0.99268700  1
  H  H6  1  0.62872500  0.68673500  0.49268700  1
  H  H7  1  0.12872500  0.31326500  0.00731300  1
  H  H8  1  0.62408100  0.43416400  0.38423300  1
  H  H9  1  0.12408100  0.56583600  0.11576700  1
  H  H10  1  0.37591900  0.56583600  0.61576700  1
  H  H11  1  0.87591900  0.43416400  0.88423300  1
  H  H12  1  0.60512200  0.41827600  0.15039700  1
  H  H13  1  0.10512200  0.58172400  0.34960300  1
  H  H14  1  0.39487800  0.58172400  0.84960300  1
  H  H15  1  0.89487800  0.41827600  0.65039700  1
  H  H16  1  0.06824200  0.08984100  0.25274700  1
  H  H17  1  0.56824200  0.91015900  0.24725300  1
  H  H18  1  0.93175800  0.91015900  0.74725300  1
  H  H19  1  0.43175800  0.08984100  0.75274700  1
  C  C20  1  0.37076900  0.24869200  0.30142800  1
  C  C21  1  0.87076900  0.75130800  0.19857200  1
  C  C22  1  0.62923100  0.75130800  0.69857200  1
  C  C23  1  0.12923100  0.24869200  0.80142800  1
  N  N24  1  0.51157700  0.31075500  0.41879300  1
  N  N25  1  0.01157700  0.68924500  0.08120700  1
  N  N26  1  0.48842300  0.68924500  0.58120700  1
  N  N27  1  0.98842300  0.31075500  0.91879300  1
  N  N28  1  0.45093400  0.31509900  0.15797200  1
  N  N29  1  0.95093400  0.68490100  0.34202800  1
  N  N30  1  0.54906600  0.68490100  0.84202800  1
  N  N31  1  0.04906600  0.31509900  0.65797200  1
  N  N32  1  0.16301900  0.11986700  0.34631800  1
  N  N33  1  0.66301900  0.88013300  0.15368200  1
  N  N34  1  0.83698100  0.88013300  0.65368200  1
  N  N35  1  0.33698100  0.11986700  0.84631800  1
