data_Sr(AlCl4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97
_cell_length_b   12.46
_cell_length_c   24.97
_cell_angle_alpha   94.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(AlCl4)2
_chemical_formula_sum   'Sr2 Al4 Cl16'
_cell_volume   2160.23
_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  0.85  0.25  0.1  1.0
  Sr  Sr1  1  0.15  0.75  0.1  1.0
  Al  Al2  1  0.73  0.57  0.04  1.0
  Al  Al3  1  0.27  0.07  0.04  1.0
  Al  Al4  1  0.27  0.43  0.16  1.0
  Al  Al5  1  0.73  0.93  0.16  1.0
  Cl  Cl6  1  0.71  0.4  0.02  1.0
  Cl  Cl7  1  0.19  0.11  0.13  1.0
  Cl  Cl8  1  0.54  0.36  0.17  1.0
  Cl  Cl9  1  0.71  0.1  0.18  1.0
  Cl  Cl10  1  0.54  0.14  0.03  1.0
  Cl  Cl11  1  0.19  0.39  0.07  1.0
  Cl  Cl12  1  0.04  0.14  1.0  1.0
  Cl  Cl13  1  0.04  0.36  0.2  1.0
  Cl  Cl14  1  0.46  0.64  0.03  1.0
  Cl  Cl15  1  0.81  0.61  0.13  1.0
  Cl  Cl16  1  0.96  0.64  1.0  1.0
  Cl  Cl17  1  0.29  0.9  0.02  1.0
  Cl  Cl18  1  0.29  0.6  0.18  1.0
  Cl  Cl19  1  0.81  0.89  0.07  1.0
  Cl  Cl20  1  0.46  0.86  0.17  1.0
  Cl  Cl21  1  0.96  0.86  0.2  1.0

Sr Sr Al Al Al Al Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 10 o o o 0 9 o o o 0 6 o o o 0 8 o o o 0 12 + o - 0 7 + o o 0 11 + o o 0 13 + o o 1 16 - o - 1 15 - o o 1 19 - o o 1 21 - o o 1 14 o o o 1 18 o o o 1 17 o o o 1 20 o o o 2 6 o o o 2 14 o o o 2 16 o o - 2 15 o o o 3 12 o o - 3 7 o o o 3 17 o - o 3 10 o o o 4 11 o o o 4 13 o o o 4 8 o o o 4 18 o o o 5 20 o o o 5 9 o + o 5 19 o o o 5 21 o o o 
data_Sr(AlCl4)2
_symmetry_space_group_name_H-M   P2/c
_cell_length_a   24.97
_cell_length_b   6.97
_cell_length_c   12.46
_cell_angle_alpha   90.0
_cell_angle_beta   94.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   13
_chemical_formula_structural   Sr(AlCl4)2
_chemical_formula_sum   'Sr2 Al4 Cl16'
_cell_volume   2160.23
_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, y, -z+1/2'
  4  'x, -y, z+1/2'
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  2  0.0  0.15  0.75  1.0
  Al  Al1  4  0.06  0.27  0.43  1.0
  Cl  Cl2  4  0.03  0.19  0.11  1.0
  Cl  Cl3  4  0.07  0.46  0.86  1.0
  Cl  Cl4  4  0.08  0.29  0.6  1.0
  Cl  Cl5  4  0.1  0.04  0.36  1.0
