data_Al2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.9
_cell_length_b   7.9
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   156.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Tl
_chemical_formula_sum   'Al4 Tl2'
_cell_volume   131.9
_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
  Al  Al0  1  0.6  0.63  0.01  1.0
  Al  Al1  1  0.6  0.01  0.01  1.0
  Al  Al2  1  0.6  0.37  0.34  1.0
  Al  Al3  1  0.6  0.99  0.34  1.0
  Tl  Tl4  1  0.6  0.08  0.01  1.0
  Tl  Tl5  1  0.6  0.92  0.34  1.0

data_Al2Tl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.19
_cell_length_b   5.34
_cell_length_c   7.9
_cell_angle_alpha   90.0
_cell_angle_beta   101.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Tl
_chemical_formula_sum   'Al4 Tl2'
_cell_volume   131.9
_cell_formula_units_Z   2
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  0.01  0.66  0.01  1.0
  Al  Al1  2  0.37  0.34  0.37  1.0
  Tl  Tl2  2  0.08  0.66  0.08  1.0

Al Al Al Al Tl Tl