data_CsH10C15NO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14
_cell_length_b   6.59
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   95.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsH10C15NO4
_chemical_formula_sum   'Cs2 H20 C30 N2 O8'
_cell_volume   676.2
_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
  Cs  Cs0  1  0.99  0.46  0.56  1.0
  Cs  Cs1  1  0.03  0.17  0.67  1.0
  H  H2  1  0.76  0.44  0.51  1.0
  H  H3  1  0.26  0.15  0.72  1.0
  H  H4  1  0.71  0.53  0.21  1.0
  H  H5  1  0.31  0.23  0.01  1.0
  H  H6  1  0.74  0.56  0.93  1.0
  H  H7  1  0.28  0.27  0.3  1.0
  H  H8  1  0.28  0.64  0.87  1.0
  H  H9  1  0.75  0.35  0.36  1.0
  H  H10  1  0.12  0.97  0.06  1.0
  H  H11  1  0.9  0.68  0.17  1.0
  H  H12  1  0.21  0.05  0.35  1.0
  H  H13  1  0.81  0.76  0.87  1.0
  H  H14  1  0.37  0.93  0.42  1.0
  H  H15  1  0.65  0.23  0.81  1.0
  H  H16  1  0.57  0.32  0.53  1.0
  H  H17  1  0.45  0.03  0.7  1.0
  H  H18  1  0.48  0.82  0.85  1.0
  H  H19  1  0.54  0.52  0.38  1.0
  H  H20  1  0.81  0.57  0.37  1.0
  H  H21  1  0.21  0.27  0.86  1.0
  C  C22  1  0.74  0.47  0.07  1.0
  C  C23  1  0.28  0.18  0.16  1.0
  C  C24  1  0.77  0.52  0.6  1.0
  C  C25  1  0.25  0.23  0.63  1.0
  C  C26  1  0.44  0.61  0.1  1.0
  C  C27  1  0.58  0.32  0.13  1.0
  C  C28  1  0.32  0.76  0.54  1.0
  C  C29  1  0.7  0.47  0.69  1.0
  C  C30  1  0.29  0.82  0.01  1.0
  C  C31  1  0.73  0.53  0.21  1.0
  C  C32  1  0.72  0.48  0.15  1.0
  C  C33  1  0.3  0.19  0.08  1.0
  C  C34  1  0.76  0.51  0.74  1.0
  C  C35  1  0.26  0.22  0.48  1.0
  C  C36  1  0.72  0.55  0.02  1.0
  C  C37  1  0.3  0.25  0.21  1.0
  C  C38  1  0.47  0.6  0.67  1.0
  C  C39  1  0.55  0.31  0.56  1.0
  C  C40  1  0.25  0.7  0.96  1.0
  C  C41  1  0.78  0.4  0.27  1.0
  C  C42  1  0.04  0.86  0.63  1.0
  C  C43  1  0.98  0.57  0.6  1.0
  C  C44  1  0.02  0.9  0.04  1.0
  C  C45  1  1.0  0.61  0.19  1.0
  C  C46  1  0.47  0.5  0.16  1.0
  C  C47  1  0.56  0.2  0.07  1.0
  C  C48  1  0.58  0.89  0.76  1.0
  C  C49  1  0.44  0.6  0.47  1.0
  C  C50  1  0.3  0.64  0.7  1.0
  C  C51  1  0.73  0.93  0.53  1.0
  N  N52  1  0.49  0.55  0.69  1.0
  N  N53  1  0.53  0.25  0.54  1.0
  O  O54  1  0.63  0.38  0.75  1.0
  O  O55  1  0.39  0.08  0.47  1.0
  O  O56  1  0.27  0.1  0.66  1.0
  O  O57  1  0.75  0.81  0.57  1.0
  O  O58  1  0.75  0.04  0.78  1.0
  O  O59  1  0.28  0.33  0.45  1.0
  O  O60  1  0.03  0.56  0.09  1.0
  O  O61  1  0.99  0.86  0.14  1.0

data_CsH10C15NO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.59
_cell_length_b   9.14
_cell_length_c   11.28
_cell_angle_alpha   95.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsH10C15NO4
_chemical_formula_sum   'Cs2 H20 C30 N2 O8'
_cell_volume   676.2
_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
  Cs  Cs0  1  0.54  0.01  0.44  1.0
  Cs  Cs1  1  0.83  0.97  0.33  1.0
  H  H2  1  0.03  0.88  0.94  1.0
  H  H3  1  0.07  0.63  0.58  1.0
  H  H4  1  0.18  0.52  0.15  1.0
  H  H5  1  0.24  0.19  0.13  1.0
  H  H6  1  0.32  0.1  0.83  1.0
  H  H7  1  0.36  0.72  0.13  1.0
  H  H8  1  0.43  0.19  0.63  1.0
  H  H9  1  0.44  0.26  0.07  1.0
  H  H10  1  0.47  0.29  0.79  1.0
  H  H11  1  0.48  0.46  0.62  1.0
  H  H12  1  0.56  0.24  0.49  1.0
  H  H13  1  0.65  0.25  0.64  1.0
  H  H14  1  0.68  0.43  0.47  1.0
  H  H15  1  0.73  0.79  0.14  1.0
  H  H16  1  0.73  0.72  0.7  1.0
  H  H17  1  0.77  0.69  0.99  1.0
  H  H18  1  0.77  0.35  0.19  1.0
  H  H19  1  0.85  0.74  0.28  1.0
  H  H20  1  0.95  0.79  0.65  1.0
  H  H21  1  0.97  0.55  0.3  1.0
  C  C22  1  0.07  0.27  0.47  1.0
  C  C23  1  0.1  0.98  0.96  1.0
  C  C24  1  0.11  0.42  0.24  1.0
  C  C25  1  0.14  0.96  0.37  1.0
  C  C26  1  0.18  0.71  0.99  1.0
  C  C27  1  0.24  0.68  0.46  1.0
  C  C28  1  0.3  0.75  0.04  1.0
  C  C29  1  0.36  0.7  0.3  1.0
  C  C30  1  0.39  0.0  0.81  1.0
  C  C31  1  0.39  0.56  0.9  1.0
  C  C32  1  0.4  0.53  0.33  1.0
  C  C33  1  0.4  0.56  0.53  1.0
  C  C34  1  0.43  0.02  0.4  1.0
  C  C35  1  0.45  0.28  0.98  1.0
  C  C36  1  0.47  0.27  0.79  1.0
  C  C37  1  0.48  0.23  0.4  1.0
  C  C38  1  0.49  0.24  0.26  1.0
  C  C39  1  0.5  0.53  0.84  1.0
  C  C40  1  0.52  0.28  0.85  1.0
  C  C41  1  0.53  0.26  0.93  1.0
  C  C42  1  0.53  0.3  0.31  1.0
  C  C43  1  0.6  0.22  0.73  1.0
  C  C44  1  0.68  0.42  0.87  1.0
  C  C45  1  0.69  0.45  0.44  1.0
  C  C46  1  0.75  0.7  0.79  1.0
  C  C47  1  0.77  0.75  0.37  1.0
  C  C48  1  0.78  0.74  0.52  1.0
  C  C49  1  0.8  0.44  0.93  1.0
  C  C50  1  0.81  0.7  0.92  1.0
  C  C51  1  0.82  0.72  0.84  1.0
  N  N52  1  0.45  0.51  0.31  1.0
  N  N53  1  0.75  0.47  0.46  1.0
  O  O54  1  0.14  0.01  0.86  1.0
  O  O55  1  0.19  0.25  0.43  1.0
  O  O56  1  0.44  0.97  0.91  1.0
  O  O57  1  0.62  0.37  0.25  1.0
  O  O58  1  0.67  0.72  0.55  1.0
  O  O59  1  0.9  0.73  0.34  1.0
  O  O60  1  0.92  0.61  0.53  1.0
  O  O61  1  0.96  0.25  0.22  1.0

Cs Cs H H H H 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 C C C C C C N N O O O O O O O O