data_SrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCl
_chemical_formula_sum   'Sr2 Cl2'
_cell_volume   118.38
_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
  Sr  Sr2  1  0.2  0.27  0.28  1.0
  Sr  Sr3  1  0.0  0.55  0.76  1.0
  Cl  Cl0  1  0.0  0.0  0.52  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_SrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCl
_chemical_formula_sum   'Sr2 Cl2'
_cell_volume   118.38
_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
  Sr  Sr0  1  0.0  0.55  0.76  1.0
  Sr  Sr1  1  0.2  0.27  0.28  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.52  1.0

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