data_TiAlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.14
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   99.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlBi2
_chemical_formula_sum   'Ti1 Al1 Bi2'
_cell_volume   104.25
_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
  Ti  Ti3  1  0.81  0.07  0.41  1.0
  Al  Al0  1  0.24  0.0  0.43  1.0
  Bi  Bi1  1  0.96  0.07  0.34  1.0
  Bi  Bi2  1  0.33  0.0  0.54  1.0

data_TiAlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.14
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   99.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlBi2
_chemical_formula_sum   'Ti1 Al1 Bi2'
_cell_volume   104.25
_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
  Ti  Ti0  1  0.81  0.07  0.41  1.0
  Al  Al1  1  0.24  0.0  0.43  1.0
  Bi  Bi2  1  0.33  0.0  0.54  1.0
  Bi  Bi3  1  0.96  0.07  0.34  1.0

Ti Al Bi Bi