data_LiH7C4N2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69
_cell_length_b   4.97
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   106.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH7C4N2O3
_chemical_formula_sum   'Li2 H14 C8 N4 O6'
_cell_volume   325.14
_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  0.41  0.71  0.39  1.0
  Li  Li1  1  0.73  0.22  0.11  1.0
  H  H2  1  0.74  0.45  0.21  1.0
  H  H3  1  0.4  0.94  0.29  1.0
  H  H4  1  0.3  0.63  0.33  1.0
  H  H5  1  0.84  0.15  0.18  1.0
  H  H6  1  0.2  0.86  0.71  1.0
  H  H7  1  0.94  0.37  0.8  1.0
  H  H8  1  0.1  0.85  0.41  1.0
  H  H9  1  0.04  0.36  0.09  1.0
  H  H10  1  0.41  0.77  0.15  1.0
  H  H11  1  0.73  0.28  0.35  1.0
  H  H12  1  0.5  0.48  0.09  1.0
  H  H13  1  0.64  0.97  0.42  1.0
  H  H14  1  0.38  0.1  0.57  1.0
  H  H15  1  0.76  0.59  0.93  1.0
  C  C16  1  0.86  0.62  0.21  1.0
  C  C17  1  0.28  0.13  0.29  1.0
  C  C18  1  0.83  0.02  0.2  1.0
  C  C19  1  0.32  0.53  0.3  1.0
  C  C20  1  0.0  0.94  0.96  1.0
  C  C21  1  0.14  0.42  0.55  1.0
  C  C22  1  0.21  0.72  0.43  1.0
  C  C23  1  0.93  0.23  0.08  1.0
  N  N24  1  0.17  0.85  0.83  1.0
  N  N25  1  0.97  0.37  0.67  1.0
  N  N26  1  0.03  0.7  0.7  1.0
  N  N27  1  0.11  0.22  0.81  1.0
  O  O28  1  0.5  0.79  0.01  1.0
  O  O29  1  0.64  0.3  0.49  1.0
  O  O30  1  0.28  0.97  0.61  1.0
  O  O31  1  0.86  0.48  0.9  1.0
  O  O32  1  0.07  0.01  0.81  1.0
  O  O33  1  0.07  0.5  0.7  1.0

data_LiH7C4N2O3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   7.69
_cell_length_c   8.88
_cell_angle_alpha   106.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH7C4N2O3
_chemical_formula_sum   'Li2 H14 C8 N4 O6'
_cell_volume   325.14
_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  0.29  0.59  0.61  1.0
  Li  Li1  1  0.78  0.27  0.89  1.0
  H  H2  1  0.03  0.36  0.58  1.0
  H  H3  1  0.06  0.6  0.71  1.0
  H  H4  1  0.14  0.8  0.29  1.0
  H  H5  1  0.15  0.9  0.59  1.0
  H  H6  1  0.23  0.59  0.85  1.0
  H  H7  1  0.37  0.7  0.67  1.0
  H  H8  1  0.41  0.24  0.07  1.0
  H  H9  1  0.52  0.5  0.91  1.0
  H  H10  1  0.55  0.26  0.79  1.0
  H  H11  1  0.63  0.06  0.2  1.0
  H  H12  1  0.64  0.96  0.91  1.0
  H  H13  1  0.72  0.27  0.65  1.0
  H  H14  1  0.85  0.16  0.82  1.0
  H  H15  1  0.9  0.62  0.43  1.0
  C  C16  1  0.06  1.0  0.04  1.0
  C  C17  1  0.28  0.79  0.57  1.0
  C  C18  1  0.38  0.14  0.79  1.0
  C  C19  1  0.47  0.68  0.7  1.0
  C  C20  1  0.58  0.86  0.45  1.0
  C  C21  1  0.77  0.07  0.92  1.0
  C  C22  1  0.87  0.72  0.71  1.0
  C  C23  1  0.98  0.17  0.8  1.0
  N  N24  1  0.15  0.83  0.17  1.0
  N  N25  1  0.3  0.97  0.3  1.0
  N  N26  1  0.63  0.03  0.33  1.0
  N  N27  1  0.78  0.89  0.19  1.0
  O  O28  1  0.03  0.72  0.39  1.0
  O  O29  1  0.21  0.5  0.99  1.0
  O  O30  1  0.5  0.93  0.3  1.0
  O  O31  1  0.52  0.14  0.1  1.0
  O  O32  1  0.7  0.36  0.51  1.0
  O  O33  1  0.99  0.93  0.19  1.0

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