data_LiH4C6NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   14.27
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH4C6NO2
_chemical_formula_sum   'Li4 H16 C24 N4 O8'
_cell_volume   797.76
_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  0.99  0.31  0.12  1.0
  Li  Li1  1  0.44  0.18  0.1  1.0
  Li  Li2  1  0.52  0.96  0.32  1.0
  Li  Li3  1  0.06  0.09  0.35  1.0
  H  H4  1  0.02  0.81  0.5  1.0
  H  H5  1  0.56  0.94  0.16  1.0
  H  H6  1  0.23  0.62  0.95  1.0
  H  H7  1  0.35  0.75  0.72  1.0
  H  H8  1  0.25  0.42  0.87  1.0
  H  H9  1  0.33  0.55  0.79  1.0
  H  H10  1  0.85  0.57  0.47  1.0
  H  H11  1  0.73  0.7  0.2  1.0
  H  H12  1  0.95  0.33  0.28  1.0
  H  H13  1  0.48  0.46  0.94  1.0
  H  H14  1  0.16  0.52  0.73  1.0
  H  H15  1  0.27  0.65  0.5  1.0
  H  H16  1  0.77  0.57  0.24  1.0
  H  H17  1  0.66  0.7  0.98  1.0
  H  H18  1  0.18  0.72  0.65  1.0
  H  H19  1  0.25  0.85  0.57  1.0
  C  C20  1  0.77  0.44  0.02  1.0
  C  C21  1  0.81  0.57  0.64  1.0
  C  C22  1  0.32  0.54  0.1  1.0
  C  C23  1  0.26  0.68  0.57  1.0
  C  C24  1  0.09  0.7  0.95  1.0
  C  C25  1  0.49  0.83  0.71  1.0
  C  C26  1  0.66  0.7  0.08  1.0
  C  C27  1  0.92  0.83  0.58  1.0
  C  C28  1  0.16  0.47  0.48  1.0
  C  C29  1  0.42  0.6  0.18  1.0
  C  C30  1  0.49  0.44  0.35  1.0
  C  C31  1  0.09  0.57  0.31  1.0
  C  C32  1  0.7  0.7  0.8  1.0
  C  C33  1  0.73  0.83  0.42  1.0
  C  C34  1  0.24  0.59  0.87  1.0
  C  C35  1  0.19  0.72  0.35  1.0
  C  C36  1  0.01  0.43  0.73  1.0
  C  C37  1  0.41  0.57  0.49  1.0
  C  C38  1  0.58  0.44  0.86  1.0
  C  C39  1  0.85  0.57  0.36  1.0
  C  C40  1  0.42  0.7  0.13  1.0
  C  C41  1  0.01  0.83  0.09  1.0
  C  C42  1  0.08  0.66  0.26  1.0
  C  C43  1  0.35  0.8  0.96  1.0
  N  N44  1  0.89  0.59  0.34  1.0
  N  N45  1  0.69  0.72  0.32  1.0
  N  N46  1  0.82  0.55  0.12  1.0
  N  N47  1  0.61  0.68  0.1  1.0
  O  O48  1  0.88  0.63  0.45  1.0
  O  O49  1  0.7  0.76  0.21  1.0
  O  O50  1  1.0  0.4  0.3  1.0
  O  O51  1  0.58  0.53  0.36  1.0
  O  O52  1  0.81  0.5  0.23  1.0
  O  O53  1  0.62  0.63  0.99  1.0
  O  O54  1  0.92  0.74  0.08  1.0
  O  O55  1  0.5  0.87  0.14  1.0

data_LiH4C6NO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.35
_cell_length_b   10.61
_cell_length_c   14.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.05
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiH4C6NO2
_chemical_formula_sum   'Li4 H16 C24 N4 O8'
_cell_volume   797.76
_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  0.23  0.4  0.68  1.0
  Li  Li1  2  0.31  0.62  0.46  1.0
  H  H2  2  0.02  0.52  0.93  1.0
  H  H3  2  0.09  0.74  0.93  1.0
  H  H4  2  0.19  0.56  0.69  1.0
  H  H5  2  0.27  0.78  0.17  1.0
  H  H6  2  0.41  0.0  0.88  1.0
  H  H7  2  0.42  0.93  0.08  1.0
  H  H8  2  0.48  0.23  0.98  1.0
  H  H9  2  0.5  0.15  0.78  1.0
  C  C10  2  0.02  0.3  0.8  1.0
  C  C11  2  0.06  0.92  0.94  1.0
  C  C12  2  0.09  0.64  0.94  1.0
  C  C13  2  0.17  0.86  0.2  1.0
  C  C14  2  0.26  0.37  0.2  1.0
  C  C15  2  0.26  0.01  0.8  1.0
  C  C16  2  0.33  0.54  0.03  1.0
  C  C17  2  0.33  0.59  0.94  1.0
  C  C18  2  0.34  0.23  0.07  1.0
  C  C19  2  0.4  0.76  0.84  1.0
  C  C20  2  0.43  0.63  0.09  1.0
  C  C21  2  0.49  0.15  0.96  1.0
  N  N22  2  0.06  0.4  0.91  1.0
  N  N23  2  0.14  0.62  0.95  1.0
  O  O24  2  0.05  0.51  0.87  1.0
  O  O25  2  0.13  0.73  1.0  1.0
  O  O26  2  0.17  0.36  0.1  1.0
  O  O27  2  0.25  0.58  0.76  1.0

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