data_PH8IN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PH8IN4
_chemical_formula_sum   'P2 H16 I2 N8'
_cell_volume   401.22
_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
  P  P26  1  0.65  0.0  0.76  1.0
  P  P27  1  0.0  0.65  0.76  1.0
  H  H0  1  0.46  0.92  0.21  1.0
  H  H1  1  0.26  0.11  0.21  1.0
  H  H2  1  0.04  0.19  0.21  1.0
  H  H3  1  0.84  0.39  0.21  1.0
  H  H4  1  0.19  0.26  0.21  1.0
  H  H5  1  0.39  0.46  0.21  1.0
  H  H6  1  0.92  0.84  0.21  1.0
  H  H7  1  0.11  0.04  0.21  1.0
  H  H8  1  0.84  0.92  0.31  1.0
  H  H9  1  0.04  0.11  0.31  1.0
  H  H10  1  0.26  0.19  0.31  1.0
  H  H11  1  0.46  0.39  0.31  1.0
  H  H12  1  0.11  0.26  0.31  1.0
  H  H13  1  0.92  0.46  0.31  1.0
  H  H14  1  0.39  0.84  0.31  1.0
  H  H15  1  0.19  0.04  0.31  1.0
  I  I16  1  0.0  0.0  0.0  1.0
  I  I17  1  0.65  0.65  0.0  1.0
  N  N18  1  0.15  0.8  0.65  1.0
  N  N19  1  0.16  0.51  0.65  1.0
  N  N20  1  0.51  0.15  0.65  1.0
  N  N21  1  0.8  0.16  0.65  1.0
  N  N22  1  0.16  0.8  0.88  1.0
  N  N23  1  0.15  0.51  0.88  1.0
  N  N24  1  0.8  0.15  0.88  1.0
  N  N25  1  0.51  0.16  0.88  1.0

data_PH8IN4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PH8IN4
_chemical_formula_sum   'P2 H16 I2 N8'
_cell_volume   401.22
_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
  P  P0  1  -0.0  0.65  0.76  1.0
  P  P1  1  0.65  0.0  0.76  1.0
  H  H2  1  0.04  0.11  0.31  1.0
  H  H3  1  0.04  0.19  0.21  1.0
  H  H4  1  0.11  0.04  0.21  1.0
  H  H5  1  0.11  0.26  0.31  1.0
  H  H6  1  0.19  0.04  0.31  1.0
  H  H7  1  0.19  0.26  0.21  1.0
  H  H8  1  0.26  0.11  0.21  1.0
  H  H9  1  0.26  0.19  0.31  1.0
  H  H10  1  0.39  0.46  0.21  1.0
  H  H11  1  0.39  0.84  0.31  1.0
  H  H12  1  0.46  0.39  0.31  1.0
  H  H13  1  0.46  0.92  0.21  1.0
  H  H14  1  0.84  0.39  0.21  1.0
  H  H15  1  0.84  0.92  0.31  1.0
  H  H16  1  0.92  0.46  0.31  1.0
  H  H17  1  0.92  0.84  0.21  1.0
  I  I18  1  0.0  0.0  0.0  1.0
  I  I19  1  0.65  0.65  0.0  1.0
  N  N20  1  0.15  0.51  0.88  1.0
  N  N21  1  0.15  0.8  0.65  1.0
  N  N22  1  0.16  0.51  0.65  1.0
  N  N23  1  0.16  0.8  0.88  1.0
  N  N24  1  0.51  0.15  0.65  1.0
  N  N25  1  0.51  0.16  0.88  1.0
  N  N26  1  0.8  0.15  0.88  1.0
  N  N27  1  0.8  0.16  0.65  1.0

P P H H H H H H H H H H H H H H H H I I N N N N N N N N