data_LiH2C3N3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   9.15
_cell_length_c   14.34
_cell_angle_alpha   90.0
_cell_angle_beta   100.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH2C3N3O2
_chemical_formula_sum   'Li4 H8 C12 N12 O8'
_cell_volume   442.18
_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  0.24  0.29  0.02  1.0
  Li  Li1  1  0.29  0.87  0.14  1.0
  Li  Li2  1  0.59  0.86  0.09  1.0
  Li  Li3  1  0.54  0.28  0.96  1.0
  H  H4  1  0.79  0.01  0.31  1.0
  H  H5  1  0.73  0.59  0.85  1.0
  H  H6  1  0.03  0.14  0.79  1.0
  H  H7  1  0.09  0.56  0.26  1.0
  H  H8  1  0.67  0.79  0.06  1.0
  H  H9  1  0.85  0.21  0.1  1.0
  H  H10  1  0.15  0.36  0.05  1.0
  H  H11  1  0.97  0.94  0.01  1.0
  C  C12  1  0.94  0.22  0.2  1.0
  C  C13  1  0.58  0.65  0.96  1.0
  C  C14  1  0.89  0.93  0.91  1.0
  C  C15  1  0.24  0.5  0.15  1.0
  C  C16  1  0.98  0.9  0.97  1.0
  C  C17  1  0.15  0.32  0.09  1.0
  C  C18  1  0.85  0.25  0.14  1.0
  C  C19  1  0.67  0.83  0.02  1.0
  C  C20  1  0.34  0.83  0.39  1.0
  C  C21  1  0.18  0.4  0.77  1.0
  C  C22  1  0.48  0.32  0.72  1.0
  C  C23  1  0.64  0.75  0.34  1.0
  N  N24  1  0.43  0.08  0.12  1.0
  N  N25  1  0.09  0.5  0.04  1.0
  N  N26  1  0.39  0.07  0.99  1.0
  N  N27  1  0.74  0.65  0.06  1.0
  N  N28  1  0.17  0.23  0.47  1.0
  N  N29  1  0.35  0.65  0.68  1.0
  N  N30  1  0.65  0.92  0.63  1.0
  N  N31  1  0.47  0.5  0.42  1.0
  N  N32  1  0.48  0.14  0.18  1.0
  N  N33  1  0.04  0.57  0.98  1.0
  N  N34  1  0.34  0.01  0.93  1.0
  N  N35  1  0.79  0.58  0.12  1.0
  O  O36  1  0.22  0.21  0.46  1.0
  O  O37  1  0.3  0.79  0.69  1.0
  O  O38  1  0.6  0.94  0.64  1.0
  O  O39  1  0.52  0.36  0.41  1.0
  O  O40  1  0.52  0.62  0.22  1.0
  O  O41  1  0.0  0.19  0.93  1.0
  O  O42  1  0.3  0.53  0.88  1.0
  O  O43  1  0.82  0.96  0.17  1.0

data_LiH2C3N3O2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.43
_cell_length_b   9.15
_cell_length_c   14.13
_cell_angle_alpha   90.0
_cell_angle_beta   93.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiH2C3N3O2
_chemical_formula_sum   'Li4 H8 C12 N12 O8'
_cell_volume   442.18
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.14  0.72  0.46  1.0
  Li  Li1  2  0.22  0.29  0.59  1.0
  H  H2  2  0.12  0.56  0.24  1.0
  H  H3  2  0.25  0.79  0.49  1.0
  H  H4  2  0.39  0.36  0.45  1.0
  H  H5  2  0.48  0.01  0.29  1.0
  C  C6  2  0.06  0.17  0.78  1.0
  C  C7  2  0.27  0.93  0.59  1.0
  C  C8  2  0.3  0.75  0.53  1.0
  C  C9  2  0.35  0.32  0.41  1.0
  C  C10  2  0.38  0.35  0.35  1.0
  C  C11  2  0.41  0.25  0.84  1.0
  N  N12  2  0.04  0.5  0.56  1.0
  N  N13  2  0.05  0.57  0.62  1.0
  N  N14  2  0.3  0.99  0.43  1.0
  N  N15  2  0.31  0.92  0.87  1.0
  N  N16  2  0.31  0.93  0.49  1.0
  N  N17  2  0.34  0.35  0.08  1.0
  O  O18  2  0.06  0.04  0.67  1.0
  O  O19  2  0.24  0.79  0.86  1.0
  O  O20  2  0.29  0.62  0.38  1.0
  O  O21  2  0.4  0.36  0.09  1.0

Li Li Li Li H H H H H H H H C C C C C C C C C C C C N N N N N N N N N N N N O O O O O O O O