data_SrAl2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Cl
_chemical_formula_sum   'Sr1 Al2 Cl1'
_cell_volume   103.65
_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  Sr3  1  0.0  0.0  0.7  1.0
  Al  Al0  1  0.95  0.0  0.3  1.0
  Al  Al1  1  0.95  0.0  0.09  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_SrAl2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Cl
_chemical_formula_sum   'Sr1 Al2 Cl1'
_cell_volume   103.65
_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  0.0  0.0  0.7  1.0
  Al  Al1  1  0.95  0.0  0.09  1.0
  Al  Al2  1  0.95  0.0  0.3  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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