data_AlTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   132.08
_cell_angle_beta   132.08
_cell_angle_gamma   70.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl
_chemical_formula_sum   'Al2 Tl2'
_cell_volume   97.33
_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  0.29  0.31  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.29  0.0  0.31  1.0
  Tl  Tl3  1  0.0  0.0  0.62  1.0

data_AlTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.65
_cell_angle_alpha   113.96
_cell_angle_beta   113.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl
_chemical_formula_sum   'Al2 Tl2'
_cell_volume   97.33
_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  0.0  0.0  1.0
  Al  Al1  1  0.98  0.29  0.98  1.0
  Tl  Tl2  1  0.38  0.0  0.38  1.0
  Tl  Tl3  1  0.69  0.0  0.98  1.0

Al Al Tl Tl
Al Al Tl Tl 0 1 o o o 1 2 o o o 1 3 o o - 