data_AlTlCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.1
_cell_length_b   7.21
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlCl4
_chemical_formula_sum   'Al4 Tl4 Cl16'
_cell_volume   758.44
_cell_formula_units_Z   4
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
  Al  Al0  1  0.82  0.8  0.96  1.0
  Al  Al1  1  0.37  0.8  0.78  1.0
  Al  Al2  1  0.28  0.41  0.51  1.0
  Al  Al3  1  0.73  0.41  0.7  1.0
  Tl  Tl4  1  0.61  0.41  0.75  1.0
  Tl  Tl5  1  0.03  0.8  0.49  1.0
  Tl  Tl6  1  0.48  0.8  0.73  1.0
  Tl  Tl7  1  0.06  0.41  0.99  1.0
  Cl  Cl8  1  0.71  0.56  0.7  1.0
  Cl  Cl9  1  0.12  0.8  0.29  1.0
  Cl  Cl10  1  0.84  0.65  0.43  1.0
  Cl  Cl11  1  0.84  0.16  0.43  1.0
  Cl  Cl12  1  0.26  0.56  0.04  1.0
  Cl  Cl13  1  0.97  0.41  0.19  1.0
  Cl  Cl14  1  0.67  0.8  0.45  1.0
  Cl  Cl15  1  0.96  0.41  0.77  1.0
  Cl  Cl16  1  0.38  0.16  0.78  1.0
  Cl  Cl17  1  0.38  0.65  0.78  1.0
  Cl  Cl18  1  0.43  0.41  0.03  1.0
  Cl  Cl19  1  0.14  0.8  0.71  1.0
  Cl  Cl20  1  0.71  0.05  0.7  1.0
  Cl  Cl21  1  0.68  0.8  0.03  1.0
  Cl  Cl22  1  0.41  0.41  0.45  1.0
  Cl  Cl23  1  0.26  0.05  0.04  1.0

data_AlTlCl4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.21
_cell_length_b   9.48
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AlTlCl4
_chemical_formula_sum   'Al4 Tl4 Cl16'
_cell_volume   758.44
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Al  Al0  2  0.3  0.28  0.23  1.0
  Al  Al1  2  0.3  0.46  0.68  1.0
  Tl  Tl2  2  0.3  0.75  0.02  1.0
  Tl  Tl3  2  0.3  0.51  0.56  1.0
  Cl  Cl4  2  0.06  0.2  0.79  1.0
  Cl  Cl5  2  0.06  0.54  0.34  1.0
  Cl  Cl6  2  0.3  0.21  0.36  1.0
  Cl  Cl7  2  0.3  0.79  0.38  1.0
  Cl  Cl8  2  0.3  0.95  0.93  1.0
  Cl  Cl9  2  0.3  0.53  0.91  1.0
  Cl  Cl10  2  0.45  0.46  0.66  1.0
  Cl  Cl11  2  0.45  0.8  0.21  1.0

Al Al Al Al Tl Tl Tl Tl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl