data_AsP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsP2Cl
_chemical_formula_sum   'As1 P2 Cl1'
_cell_volume   101.4
_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  0.67  0.0  0.48  1.0
  P  P2  1  0.67  0.0  0.8  1.0
  P  P3  1  0.0  0.0  0.44  1.0
  Cl  Cl1  1  0.0  0.0  0.7  1.0

data_AsP2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.92
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsP2Cl
_chemical_formula_sum   'As1 P2 Cl1'
_cell_volume   101.4
_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  0.67  0.48  1.0
  P  P1  1  0.0  0.0  0.44  1.0
  P  P2  1  0.0  0.67  0.8  1.0
  Cl  Cl3  1  0.0  0.0  0.7  1.0

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