data_Pa2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   3.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa2S
_chemical_formula_sum   'Pa4 S2'
_cell_volume   152.8
_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
  Pa  Pa0  1  0.84  0.84  0.0  1.0
  Pa  Pa1  1  0.63  0.63  0.0  1.0
  Pa  Pa2  1  0.08  0.4  0.82  1.0
  Pa  Pa3  1  0.4  0.08  0.82  1.0
  S  S4  1  0.0  0.0  0.0  1.0
  S  S5  1  0.24  0.24  0.82  1.0

data_Pa2S
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.16
_cell_length_b   9.16
_cell_length_c   3.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Pa2S
_chemical_formula_sum   'Pa8 S4'
_cell_volume   305.59
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Pa  Pa0  4  0.24  0.16  0.82  1.0
  Pa  Pa1  2  0.13  0.5  0.0  1.0
  Pa  Pa2  2  0.34  0.5  0.0  1.0
  S  S3  2  0.0  0.0  0.0  1.0
  S  S4  2  0.24  0.0  0.82  1.0

Pa Pa Pa Pa S S