data_Na2PH13(C3O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   8.58
_cell_length_c   11.38
_cell_angle_alpha   89.3
_cell_angle_beta   89.34
_cell_angle_gamma   85.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2PH13(C3O5)2
_chemical_formula_sum   'Na4 P2 H26 C12 O20'
_cell_volume   612.34
_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
  Na  Na0  1  0.47  0.49  0.69  1.0
  Na  Na1  1  0.62  0.19  0.69  1.0
  Na  Na2  1  0.89  0.41  0.89  1.0
  Na  Na3  1  0.2  0.27  0.49  1.0
  P  P4  1  0.72  0.29  0.79  1.0
  P  P5  1  0.37  0.39  0.59  1.0
  H  H6  1  0.78  0.06  0.34  1.0
  H  H7  1  0.31  0.62  0.04  1.0
  H  H8  1  0.67  0.57  0.56  1.0
  H  H9  1  0.42  0.11  0.82  1.0
  H  H10  1  0.3  0.06  0.04  1.0
  H  H11  1  0.79  0.62  0.33  1.0
  H  H12  1  0.5  0.8  0.98  1.0
  H  H13  1  0.59  0.88  0.39  1.0
  H  H14  1  0.7  0.8  0.0  1.0
  H  H15  1  0.39  0.88  0.37  1.0
  H  H16  1  0.02  0.46  0.26  1.0
  H  H17  1  0.08  0.22  0.11  1.0
  H  H18  1  0.94  0.67  0.16  1.0
  H  H19  1  0.15  0.01  0.22  1.0
  H  H20  1  0.32  0.97  0.04  1.0
  H  H21  1  0.77  0.71  0.33  1.0
  H  H22  1  0.63  0.05  0.3  1.0
  H  H23  1  0.46  0.63  0.07  1.0
  H  H24  1  0.09  0.52  0.41  1.0
  H  H25  1  1.0  0.16  0.97  1.0
  H  H26  1  0.26  0.39  0.72  1.0
  H  H27  1  0.83  0.29  0.66  1.0
  H  H28  1  0.08  0.39  0.5  1.0
  H  H29  1  0.01  0.29  0.88  1.0
  H  H30  1  0.81  0.43  0.97  1.0
  H  H31  1  0.28  0.25  0.41  1.0
  C  C32  1  0.37  0.37  0.29  1.0
  C  C33  1  0.72  0.31  0.08  1.0
  C  C34  1  0.6  0.28  0.68  1.0
  C  C35  1  0.49  0.4  0.69  1.0
  C  C36  1  0.56  0.98  0.91  1.0
  C  C37  1  0.53  0.7  0.46  1.0
  C  C38  1  0.02  1.0  0.93  1.0
  C  C39  1  0.08  0.68  0.45  1.0
  C  C40  1  0.03  0.6  0.19  1.0
  C  C41  1  0.06  0.08  0.18  1.0
  C  C42  1  0.73  0.98  0.35  1.0
  C  C43  1  0.36  0.7  0.03  1.0
  O  O44  1  0.97  0.73  0.01  1.0
  O  O45  1  0.12  0.95  0.36  1.0
  O  O46  1  0.24  0.49  0.68  1.0
  O  O47  1  0.86  0.19  0.69  1.0
  O  O48  1  0.0  0.79  0.88  1.0
  O  O49  1  0.09  0.89  0.49  1.0
  O  O50  1  0.25  0.53  0.01  1.0
  O  O51  1  0.84  0.15  0.37  1.0
  O  O52  1  0.43  0.88  0.7  1.0
  O  O53  1  0.66  0.8  0.67  1.0
  O  O54  1  0.51  0.28  0.43  1.0
  O  O55  1  0.58  0.4  0.95  1.0
  O  O56  1  0.42  0.35  0.75  1.0
  O  O57  1  0.67  0.33  0.62  1.0
  O  O58  1  0.69  0.68  0.92  1.0
  O  O59  1  0.4  1.0  0.45  1.0
  O  O60  1  0.07  0.13  0.07  1.0
  O  O61  1  0.02  0.55  0.3  1.0
  O  O62  1  0.43  0.7  0.66  1.0
  O  O63  1  0.66  0.98  0.72  1.0

data_Na2PH13(C3O5)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.3
_cell_length_b   8.58
_cell_length_c   11.38
_cell_angle_alpha   89.3
_cell_angle_beta   89.34
_cell_angle_gamma   85.56
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2PH13(C3O5)2
_chemical_formula_sum   'Na4 P2 H26 C12 O20'
_cell_volume   612.34
_cell_formula_units_Z   2
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
  Na  Na0  2  0.15  0.93  0.3  1.0
  Na  Na1  2  0.42  0.15  0.5  1.0
  P  P2  2  0.32  0.05  0.4  1.0
  H  H3  2  0.03  0.88  0.92  1.0
  H  H4  2  0.03  0.05  0.31  1.0
  H  H5  2  0.05  0.18  0.22  1.0
  H  H6  2  0.1  0.67  0.03  1.0
  H  H7  2  0.21  0.05  0.53  1.0
  H  H8  2  0.24  0.91  0.22  1.0
  H  H9  2  0.25  0.72  0.85  1.0
  H  H10  2  0.27  0.28  0.85  1.0
  H  H11  2  0.27  0.63  0.85  1.0
  H  H12  2  0.35  0.54  0.18  1.0
  H  H13  2  0.37  0.77  0.63  1.0
  H  H14  2  0.41  0.29  0.88  1.0
  H  H15  2  0.46  0.46  0.8  1.0
  C  C16  2  0.01  0.74  0.99  1.0
  C  C17  2  0.03  0.34  0.26  1.0
  C  C18  2  0.32  0.36  0.84  1.0
  C  C19  2  0.33  0.03  0.11  1.0
  C  C20  2  0.45  0.06  0.51  1.0
  C  C21  2  0.49  0.36  0.28  1.0
  O  O22  2  0.02  0.79  0.89  1.0
  O  O23  2  0.04  0.55  0.3  1.0
  O  O24  2  0.07  0.61  0.18  1.0
  O  O25  2  0.19  0.15  0.5  1.0
  O  O26  2  0.21  0.19  0.82  1.0
  O  O27  2  0.35  0.66  0.27  1.0
  O  O28  2  0.38  0.01  0.56  1.0
  O  O29  2  0.38  0.36  0.47  1.0
  O  O30  2  0.39  0.54  0.52  1.0
  O  O31  2  0.46  0.94  0.24  1.0

Na Na Na Na P P H H H H H H 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 O O O O O O O O O O O O O O O O O O O O