data_P4S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.54
_cell_length_c   25.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4S5
_chemical_formula_sum   'P4 S5'
_cell_volume   945.65
_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  0.58  0.13  0.07  1.0
  P  P1  1  0.72  0.66  0.12  1.0
  P  P2  1  0.12  0.23  0.12  1.0
  P  P3  1  0.58  0.13  0.17  1.0
  S  S4  1  0.23  0.08  0.06  1.0
  S  S5  1  0.78  0.48  0.06  1.0
  S  S6  1  0.35  0.58  0.12  1.0
  S  S7  1  0.78  0.48  0.19  1.0
  S  S8  1  0.23  0.08  0.19  1.0

P P P P S S S S S 0 4 o o o 0 5 o o o 0 3 o o o 1 6 o o o 1 5 o o o 1 7 o o o 2 4 o o o 2 8 o o o 2 6 o o o 3 8 o o o 3 7 o o o 
data_P4S5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.31
_cell_length_b   25.26
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   114.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   P4S5
_chemical_formula_sum   'P4 S5'
_cell_volume   945.65
_cell_formula_units_Z   1
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  0.58  0.45  0.13  1.0
  P  P1  1  0.12  0.5  0.23  1.0
  P  P2  1  0.72  0.5  0.66  1.0
  S  S3  2  0.23  0.44  0.08  1.0
  S  S4  2  0.78  0.44  0.48  1.0
  S  S5  1  0.35  0.5  0.58  1.0

P P P P S S S S S