data_AlTlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   150.09
_cell_angle_beta   145.62
_cell_angle_gamma   46.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlSb
_chemical_formula_sum   'Al1 Tl1 Sb1'
_cell_volume   81.46
_cell_formula_units_Z   1
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  0.3  1.0
  Tl  Tl2  1  0.0  0.0  0.15  1.0
  Sb  Sb1  1  0.0  0.0  0.73  1.0

data_AlTlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.91
_cell_length_c   6.62
_cell_angle_alpha   107.19
_cell_angle_beta   104.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTlSb
_chemical_formula_sum   'Al1 Tl1 Sb1'
_cell_volume   81.46
_cell_formula_units_Z   1
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  0.7  0.7  0.7  1.0
  Tl  Tl1  1  0.85  0.85  0.85  1.0
  Sb  Sb2  1  0.27  0.27  0.27  1.0

Al Tl Sb
Al Tl Sb 0 1 o o o 0 2 o o o 1 2 o o - 2 2 o + + 