data_Al2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   7.63
_cell_angle_alpha   93.88
_cell_angle_beta   93.88
_cell_angle_gamma   31.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Tl
_chemical_formula_sum   'Al4 Tl2'
_cell_volume   134.16
_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  0.37  0.0  0.54  1.0
  Al  Al1  1  0.27  0.0  0.39  1.0
  Al  Al2  1  0.76  0.0  0.4  1.0
  Al  Al3  1  0.28  0.0  0.14  1.0
  Tl  Tl4  1  0.84  0.0  0.99  1.0
  Tl  Tl5  1  0.05  0.0  0.1  1.0

data_Al2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.78
_cell_length_c   7.63
_cell_angle_alpha   93.88
_cell_angle_beta   90.0
_cell_angle_gamma   105.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Tl
_chemical_formula_sum   'Al4 Tl2'
_cell_volume   134.16
_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  0.0  0.24  0.6  1.0
  Al  Al1  1  0.0  0.63  0.46  1.0
  Al  Al2  1  0.0  0.72  0.86  1.0
  Al  Al3  1  0.0  0.73  0.61  1.0
  Tl  Tl4  1  0.0  0.16  0.01  1.0
  Tl  Tl5  1  0.0  0.95  0.9  1.0

Al Al Al Al Tl Tl