data_Sr2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   3.82
_cell_angle_alpha   96.61
_cell_angle_beta   96.61
_cell_angle_gamma   89.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PCl
_chemical_formula_sum   'Sr2 P1 Cl1'
_cell_volume   107.89
_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
  Sr  Sr2  1  0.58  0.11  0.89  1.0
  Sr  Sr3  1  0.58  0.89  0.89  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.78  0.0  0.0  1.0

data_Sr2PCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   89.95
_cell_angle_beta   83.39
_cell_angle_gamma   83.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PCl
_chemical_formula_sum   'Sr2 P1 Cl1'
_cell_volume   107.89
_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
  Sr  Sr0  1  0.89  0.42  0.11  1.0
  Sr  Sr1  1  0.89  0.42  0.89  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.22  0.0  1.0

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