data_P2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.4
_cell_length_c   9.43
_cell_angle_alpha   92.83
_cell_angle_beta   100.99
_cell_angle_gamma   110.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2S5
_chemical_formula_sum   'P8 S20'
_cell_volume   753.59
_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  0.5  0.01  0.32  1.0
  P  P1  1  0.65  0.84  0.73  1.0
  P  P2  1  0.62  0.09  0.61  1.0
  P  P3  1  0.47  0.64  0.74  1.0
  P  P4  1  0.8  0.05  0.44  1.0
  P  P5  1  0.66  0.6  0.58  1.0
  P  P6  1  0.63  0.85  0.45  1.0
  P  P7  1  0.77  0.67  0.86  1.0
  S  S8  1  0.01  0.53  0.28  1.0
  S  S9  1  0.03  0.56  0.6  1.0
  S  S10  1  0.91  0.11  0.74  1.0
  S  S11  1  0.52  0.37  0.78  1.0
  S  S12  1  0.13  0.49  0.14  1.0
  S  S13  1  0.63  0.75  0.63  1.0
  S  S14  1  0.97  0.13  0.78  1.0
  S  S15  1  0.23  0.78  0.41  1.0
  S  S16  1  0.22  0.39  0.67  1.0
  S  S17  1  0.88  0.07  0.68  1.0
  S  S18  1  0.4  0.62  0.5  1.0
  S  S19  1  0.05  0.3  0.51  1.0
  S  S20  1  0.05  0.9  0.78  1.0
  S  S21  1  0.31  0.56  0.4  1.0
  S  S22  1  0.65  0.94  0.55  1.0
  S  S23  1  0.15  0.19  0.04  1.0
  S  S24  1  0.76  0.31  0.4  1.0
  S  S25  1  0.37  0.57  0.44  1.0
  S  S26  1  0.24  0.12  0.58  1.0
  S  S27  1  0.26  0.15  0.91  1.0

data_P2S5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   9.29
_cell_length_b   9.4
_cell_length_c   9.43
_cell_angle_alpha   92.83
_cell_angle_beta   100.99
_cell_angle_gamma   110.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   P2S5
_chemical_formula_sum   'P8 S20'
_cell_volume   753.59
_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  0.33  0.29  0.65  1.0
  P  P1  2  0.36  0.67  0.23  1.0
  P  P2  2  0.48  0.74  0.52  1.0
  P  P3  2  0.49  0.51  0.36  1.0
  S  S4  2  0.01  0.85  0.95  1.0
  S  S5  2  0.09  0.05  0.58  1.0
  S  S6  2  0.09  0.44  0.32  1.0
  S  S7  2  0.1  0.78  0.49  1.0
  S  S8  2  0.12  0.81  0.82  1.0
  S  S9  2  0.17  0.22  0.31  1.0
  S  S10  2  0.23  0.23  0.35  1.0
  S  S11  2  0.26  0.27  0.41  1.0
  S  S12  2  0.38  0.03  0.69  1.0
  S  S13  2  0.49  0.4  0.54  1.0

P P P P P P P P S S S S S S S S S S S S S S S S S S S S
P P P P P P P P S S S S S S S S S S S S S S S S S S S S 0 15 o - o 0 22 o - o 0 6 o - o 0 24 o o o 0 4 o o o 0 2 o o o 1 13 o o o 1 3 o o o 1 7 o o o 2 22 o - o 2 24 o o o 3 18 o o o 3 13 o o o 3 7 o o o 3 11 o o o 4 22 o - o 4 6 o - o 4 17 o o o 4 24 o o o 5 13 o o o 5 7 o o o 5 11 o o o 6 22 o o o 7 11 o o o 7 13 o o o 7 20 + o o 8 12 o o o 8 9 o o o 8 15 o o o 8 24 - o o 9 24 - o o 9 21 o o o 9 19 o o o 9 16 o o o 9 15 o o o 10 17 o o o 10 14 o o o 10 20 + - o 11 26 o o o 11 27 o o o 11 16 o o o 14 20 + - o 14 26 + o o 15 21 o o o 15 25 o o o 15 18 o o o 16 19 o o o 16 26 o o o 17 20 + - o 18 25 o o o 19 24 - o o 19 26 o o o 20 27 o + o 20 26 o + o 21 25 o o o 23 27 o o - 26 27 o o o 