data_P4S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   10.91
_cell_length_c   25.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4S3
_chemical_formula_sum   'P8 S6'
_cell_volume   1831.53
_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  0.26  0.57  0.06  1.0
  P  P1  1  0.24  0.07  0.06  1.0
  P  P2  1  0.11  0.42  0.11  1.0
  P  P3  1  0.39  0.92  0.11  1.0
  P  P4  1  0.81  0.67  0.11  1.0
  P  P5  1  0.69  0.17  0.11  1.0
  P  P6  1  0.26  0.57  0.15  1.0
  P  P7  1  0.24  0.07  0.15  1.0
  S  S8  1  0.48  0.19  0.04  1.0
  S  S9  1  0.02  0.69  0.04  1.0
  S  S10  1  0.79  0.47  0.11  1.0
  S  S11  1  0.71  0.97  0.11  1.0
  S  S12  1  0.48  0.19  0.17  1.0
  S  S13  1  0.02  0.69  0.17  1.0

P P P P P P P P S S S S S S 0 2 o o o 0 9 o o o 0 6 o o o 1 3 o - o 1 8 o o o 1 7 o o o 2 10 - o o 2 6 o o o 3 7 o + o 3 11 o o o 4 10 o o o 4 9 + o o 4 13 + o o 5 8 o o o 5 12 o o o 5 11 o - o 6 13 o o o 7 12 o o o 
data_P4S3
_symmetry_space_group_name_H-M   Pmc2_1
_cell_length_a   25.98
_cell_length_b   6.46
_cell_length_c   10.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   26
_chemical_formula_structural   P4S3
_chemical_formula_sum   'P8 S6'
_cell_volume   1831.53
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z+1/2'
  3  '-x, y, z'
  4  'x, -y, z+1/2'
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  4  0.04  0.01  0.57  1.0
  P  P1  2  0.0  0.14  0.92  1.0
  P  P2  2  0.0  0.44  0.17  1.0
  S  S3  4  0.06  0.23  0.19  1.0
  S  S4  2  0.0  0.46  0.97  1.0
