data_Ti2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.38
_cell_length_c   3.41
_cell_angle_alpha   81.52
_cell_angle_beta   72.32
_cell_angle_gamma   26.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Bi
_chemical_formula_sum   'Ti2 Bi1'
_cell_volume   77.37
_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  0.93  0.82  0.56  1.0
  Ti  Ti2  1  0.93  0.82  0.69  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0

data_Ti2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.38
_cell_angle_alpha   98.48
_cell_angle_beta   98.48
_cell_angle_gamma   111.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Bi
_chemical_formula_sum   'Ti2 Bi1'
_cell_volume   77.37
_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  0.57  0.18  0.25  1.0
  Ti  Ti1  1  0.69  0.18  0.25  1.0
  Bi  Bi2  1  0.0  0.0  0.0  1.0

Ti Ti Bi