data_PH6N3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57
_cell_length_b   8.92
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   94.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PH6N3O
_chemical_formula_sum   'P4 H24 N12 O4'
_cell_volume   414.99
_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
  P  P0  1  0.27  0.23  0.81  1.0
  P  P1  1  0.08  0.69  0.9  1.0
  P  P2  1  0.87  0.69  0.62  1.0
  P  P3  1  0.06  0.23  0.53  1.0
  H  H4  1  0.48  0.37  0.34  1.0
  H  H5  1  0.87  0.83  0.37  1.0
  H  H6  1  0.66  0.55  0.09  1.0
  H  H7  1  0.27  0.09  0.06  1.0
  H  H8  1  0.9  0.54  0.62  1.0
  H  H9  1  0.46  1.0  0.09  1.0
  H  H10  1  0.25  0.38  0.81  1.0
  H  H11  1  0.68  0.92  0.34  1.0
  H  H12  1  0.07  0.6  0.76  1.0
  H  H13  1  0.29  0.06  0.96  1.0
  H  H14  1  0.07  0.32  0.67  1.0
  H  H15  1  0.86  0.86  0.47  1.0
  H  H16  1  0.05  0.53  0.75  1.0
  H  H17  1  0.3  0.99  0.96  1.0
  H  H18  1  0.09  0.39  0.68  1.0
  H  H19  1  0.84  0.93  0.47  1.0
  H  H20  1  0.33  0.28  0.72  1.0
  H  H21  1  0.02  0.82  1.0  1.0
  H  H22  1  0.81  0.64  0.71  1.0
  H  H23  1  0.12  0.1  0.44  1.0
  H  H24  1  0.17  0.99  0.06  1.0
  H  H25  1  0.76  0.53  0.09  1.0
  H  H26  1  0.97  0.93  0.37  1.0
  H  H27  1  0.38  0.39  0.35  1.0
  N  N28  1  0.52  0.15  0.67  1.0
  N  N29  1  0.84  0.61  0.05  1.0
  N  N30  1  0.62  0.77  0.76  1.0
  N  N31  1  0.31  0.31  0.39  1.0
  N  N32  1  0.0  0.17  0.61  1.0
  N  N33  1  0.35  0.63  0.11  1.0
  N  N34  1  0.14  0.75  0.82  1.0
  N  N35  1  0.79  0.29  0.33  1.0
  N  N36  1  0.6  0.3  0.61  1.0
  N  N37  1  0.76  0.84  0.11  1.0
  N  N38  1  0.55  0.62  0.83  1.0
  N  N39  1  0.39  0.08  0.32  1.0
  O  O40  1  0.07  0.01  0.1  1.0
  O  O41  1  0.86  0.55  0.05  1.0
  O  O42  1  0.07  0.91  0.33  1.0
  O  O43  1  0.28  0.37  0.38  1.0

data_PH6N3O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.45
_cell_length_b   8.57
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.45
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PH6N3O
_chemical_formula_sum   'P4 H24 N12 O4'
_cell_volume   414.99
_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
  P  P0  2  0.31  0.99  0.77  1.0
  P  P1  2  0.4  0.8  0.23  1.0
  H  H2  2  0.12  0.61  0.46  1.0
  H  H3  2  0.13  0.41  0.91  1.0
  H  H4  2  0.13  0.31  0.93  1.0
  H  H5  2  0.15  0.9  0.47  1.0
  H  H6  2  0.16  0.8  0.37  1.0
  H  H7  2  0.22  0.05  0.64  1.0
  H  H8  2  0.25  0.77  0.47  1.0
  H  H9  2  0.26  0.79  0.4  1.0
  H  H10  2  0.41  0.82  0.08  1.0
  H  H11  2  0.46  0.0  0.86  1.0
  H  H12  2  0.46  0.02  0.93  1.0
  H  H13  2  0.5  0.74  0.18  1.0
  N  N14  2  0.11  0.31  0.62  1.0
  N  N15  2  0.11  0.72  0.83  1.0
  N  N16  2  0.17  0.24  0.85  1.0
  N  N17  2  0.39  0.53  0.84  1.0
  N  N18  2  0.39  0.93  0.71  1.0
  N  N19  2  0.45  0.45  0.69  1.0
  O  O20  2  0.12  0.0  0.45  1.0
  O  O21  2  0.17  0.21  0.91  1.0

P P 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 N N N N N N N N N N N N O O O O