data_AsPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   9.11
_cell_length_c   9.11
_cell_angle_alpha   19.69
_cell_angle_beta   19.69
_cell_angle_gamma   19.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPCl2
_chemical_formula_sum   'As1 P1 Cl2'
_cell_volume   75.15
_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
  As  As0  1  0.0  0.0  0.4  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.05  1.0
  Cl  Cl2  1  0.0  0.0  0.75  1.0

data_AsPCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   3.12
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsPCl2
_chemical_formula_sum   'As2 P2 Cl4'
_cell_volume   150.3
_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
  As  As0  2  -0.0  0.0  0.6  1.0
  P  P1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  -0.0  0.0  0.95  1.0
  Cl  Cl3  2  -0.0  0.0  0.25  1.0

As P Cl Cl
As P Cl Cl 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o - 2 3 o o - 