data_PH15S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.17
_cell_length_c   7.18
_cell_angle_alpha   90.33
_cell_angle_beta   90.8
_cell_angle_gamma   109.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PH15S4
_chemical_formula_sum   'P1 H15 S4'
_cell_volume   84.02
_cell_formula_units_Z   1
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  P15  1  0.79  0.05  0.31  1.0
  H  H0  1  0.76  0.36  0.52  1.0
  H  H1  1  0.76  0.52  0.35  1.0
  H  H2  1  0.52  0.34  0.67  1.0
  H  H3  1  0.33  0.95  0.34  1.0
  H  H4  1  0.26  0.4  0.45  1.0
  H  H5  1  0.92  0.32  0.69  1.0
  H  H6  1  0.86  0.49  0.54  1.0
  H  H7  1  0.25  0.42  0.93  1.0
  H  H8  1  0.8  0.76  0.12  1.0
  H  H9  1  0.43  0.15  0.6  1.0
  H  H10  1  0.32  0.21  0.22  1.0
  H  H11  1  0.18  0.8  0.9  1.0
  H  H12  1  0.8  0.66  0.15  1.0
  H  H13  1  0.73  0.75  0.89  1.0
  H  H14  1  0.66  0.0  0.82  1.0
  S  S16  1  0.61  0.65  0.5  1.0
  S  S17  1  0.51  0.82  0.69  1.0
  S  S18  1  0.28  0.23  0.09  1.0
  S  S19  1  0.29  0.8  0.61  1.0

data_PH15S4
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.17
_cell_length_c   7.18
_cell_angle_alpha   90.33
_cell_angle_beta   90.8
_cell_angle_gamma   109.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PH15S4
_chemical_formula_sum   'P1 H15 S4'
_cell_volume   84.02
_cell_formula_units_Z   1
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  0.79  0.05  0.31  1.0
  H  H1  1  0.18  0.8  0.9  1.0
  H  H2  1  0.25  0.42  0.93  1.0
  H  H3  1  0.26  0.4  0.45  1.0
  H  H4  1  0.32  0.21  0.22  1.0
  H  H5  1  0.33  0.95  0.34  1.0
  H  H6  1  0.43  0.15  0.6  1.0
  H  H7  1  0.52  0.34  0.67  1.0
  H  H8  1  0.66  0.0  0.82  1.0
  H  H9  1  0.73  0.75  0.89  1.0
  H  H10  1  0.76  0.36  0.52  1.0
  H  H11  1  0.76  0.52  0.35  1.0
  H  H12  1  0.8  0.66  0.15  1.0
  H  H13  1  0.8  0.76  0.12  1.0
  H  H14  1  0.86  0.49  0.54  1.0
  H  H15  1  0.92  0.32  0.69  1.0
  S  S16  1  0.28  0.23  0.09  1.0
  S  S17  1  0.29  0.8  0.61  1.0
  S  S18  1  0.51  0.82  0.69  1.0
  S  S19  1  0.61  0.65  0.5  1.0

P H H H H H H H H H H H H H H H S S S S
P H H H H H H H H H H H H H H H S S S S 0 4 o - o 1 7 o o o 1 2 o o o 1 5 + o o 1 5 o o o 1 6 o o o 1 16 o o o 2 5 o o o 2 13 o o o 2 16 o o o 2 7 o o o 3 10 o o o 3 6 o o o 4 11 o + o 5 7 - o o 5 10 o o o 5 16 o o o 6 10 o o o 6 7 o o o 7 16 o o o 8 12 o o o 8 18 o o + 8 14 o o o 9 13 o o o 11 18 o o o 12 14 - o o 12 15 o + o 14 15 o + o 15 17 o - o 17 19 o o o 