data_AlTl2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Bi
_chemical_formula_sum   'Al1 Tl2 Bi1'
_cell_volume   115.04
_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  0.0  1.0
  Tl  Tl2  1  0.63  0.35  0.66  1.0
  Tl  Tl3  1  0.63  0.65  0.66  1.0
  Bi  Bi1  1  0.26  0.0  0.0  1.0

data_AlTl2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   116.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Bi
_chemical_formula_sum   'Al1 Tl2 Bi1'
_cell_volume   115.04
_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  0.0  1.0
  Tl  Tl1  1  0.66  0.63  0.35  1.0
  Tl  Tl2  1  0.66  0.63  0.65  1.0
  Bi  Bi3  1  -0.0  0.26  0.0  1.0

Al Tl Tl Bi
Al Tl Tl Bi 0 3 o o o 1 2 o o o 