data_PSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   7.84
_cell_angle_alpha   26.05
_cell_angle_beta   26.05
_cell_angle_gamma   26.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PSe2Cl
_chemical_formula_sum   'P1 Se2 Cl1'
_cell_volume   81.73
_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  P1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.63  1.0
  Se  Se3  1  0.0  0.0  0.07  1.0
  Cl  Cl0  1  0.0  0.0  0.35  1.0

data_PSe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   3.53
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   105.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PSe2Cl
_chemical_formula_sum   'P2 Se4 Cl2'
_cell_volume   163.45
_cell_formula_units_Z   2
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
  P  P0  2  0.0  0.0  0.0  1.0
  Se  Se1  2  0.0  0.0  0.37  1.0
  Se  Se2  2  0.0  0.0  0.93  1.0
  Cl  Cl3  2  0.0  0.0  0.65  1.0

P Se Se Cl