data_Ti2TlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlBi
_chemical_formula_sum   'Ti2 Tl1 Bi1'
_cell_volume   94.97
_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  Ti1  1  0.0  0.0  0.71  1.0
  Ti  Ti2  1  0.28  0.0  0.07  1.0
  Tl  Tl3  1  0.0  0.0  0.01  1.0
  Bi  Bi0  1  0.28  0.0  0.77  1.0

data_Ti2TlBi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ti2TlBi
_chemical_formula_sum   'Ti2 Tl1 Bi1'
_cell_volume   94.98
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.71  1.0
  Ti  Ti1  1  0.28  0.0  0.07  1.0
  Tl  Tl2  1  0.0  0.0  0.01  1.0
  Bi  Bi3  1  0.28  0.0  0.77  1.0

Ti Ti Tl Bi