data_P2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   12.4
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   102.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2S3
_chemical_formula_sum   'P16 S24'
_cell_volume   1020.61
_cell_formula_units_Z   8
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  0.2  0.41  0.43  1.0
  P  P1  1  0.21  0.51  0.47  1.0
  P  P2  1  0.86  0.36  0.61  1.0
  P  P3  1  0.46  0.79  0.55  1.0
  P  P4  1  0.73  0.59  0.69  1.0
  P  P5  1  0.33  0.16  0.62  1.0
  P  P6  1  0.98  0.31  0.76  1.0
  P  P7  1  0.99  0.61  0.8  1.0
  P  P8  1  0.52  0.79  0.69  1.0
  P  P9  1  0.54  0.09  0.73  1.0
  P  P10  1  0.18  0.24  0.86  1.0
  P  P11  1  0.78  0.81  0.8  1.0
  P  P12  1  0.06  0.61  0.94  1.0
  P  P13  1  0.66  0.04  0.88  1.0
  P  P14  1  0.3  0.89  0.02  1.0
  P  P15  1  0.32  0.99  0.06  1.0
  S  S16  1  0.96  0.63  0.19  1.0
  S  S17  1  0.16  0.68  0.87  1.0
  S  S18  1  0.86  0.06  0.05  1.0
  S  S19  1  0.94  0.3  0.73  1.0
  S  S20  1  0.22  1.0  0.06  1.0
  S  S21  1  0.18  0.58  0.26  1.0
  S  S22  1  0.01  0.38  0.97  1.0
  S  S23  1  0.97  0.2  0.17  1.0
  S  S24  1  0.25  0.5  0.51  1.0
  S  S25  1  0.33  0.86  0.18  1.0
  S  S26  1  0.03  0.88  0.37  1.0
  S  S27  1  0.23  0.43  0.04  1.0
  S  S28  1  0.28  0.97  0.45  1.0
  S  S29  1  0.48  0.52  0.12  1.0
  S  S30  1  0.18  0.54  0.31  1.0
  S  S31  1  0.26  0.9  0.98  1.0
  S  S32  1  0.54  0.2  0.32  1.0
  S  S33  1  0.5  0.02  0.52  1.0
  S  S34  1  0.34  0.82  0.23  1.0
  S  S35  1  0.3  0.4  0.43  1.0
  S  S36  1  0.58  0.1  0.76  1.0
  S  S37  1  0.66  0.34  0.44  1.0
  S  S38  1  0.36  0.72  0.62  1.0
  S  S39  1  0.56  0.77  0.29  1.0

data_P2S3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.16
_cell_length_b   11.79
_cell_length_c   12.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.99
_symmetry_Int_Tables_number   2
_chemical_formula_structural   P2S3
_chemical_formula_sum   'P16 S24'
_cell_volume   1020.61
_cell_formula_units_Z   8
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  0.02  0.06  0.11  1.0
  P  P1  2  0.1  0.86  0.66  1.0
  P  P2  2  0.22  0.02  0.61  1.0
  P  P3  2  0.24  0.06  0.91  1.0
  P  P4  2  0.3  0.2  0.91  1.0
  P  P5  2  0.43  0.12  0.54  1.0
  P  P6  2  0.44  0.69  0.71  1.0
  P  P7  2  0.45  0.73  0.81  1.0
  S  S8  2  0.1  0.31  0.36  1.0
  S  S9  2  0.18  0.98  0.6  1.0
  S  S10  2  0.2  0.45  0.93  1.0
  S  S11  2  0.21  0.43  0.5  1.0
  S  S12  2  0.25  0.23  0.68  1.0
  S  S13  2  0.28  0.62  0.18  1.0
  S  S14  2  0.4  0.12  0.98  1.0
  S  S15  2  0.42  0.52  0.88  1.0
  S  S16  2  0.42  0.56  0.84  1.0
  S  S17  2  0.46  0.32  0.3  1.0
  S  S18  2  0.48  0.29  0.73  1.0
  S  S19  2  0.5  0.76  0.8  1.0

P P P P P P P P 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 S S S S