data_Ti2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.23
_cell_angle_alpha   98.9
_cell_angle_beta   98.9
_cell_angle_gamma   103.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiBi
_chemical_formula_sum   'Ti2 Si1 Bi1'
_cell_volume   74.89
_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  Ti2  1  0.13  0.05  0.56  1.0
  Ti  Ti3  1  0.13  0.95  0.56  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.07  0.0  0.0  1.0

data_Ti2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   103.51
_cell_angle_beta   98.9
_cell_angle_gamma   98.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiBi
_chemical_formula_sum   'Ti2 Si1 Bi1'
_cell_volume   74.89
_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  0.56  0.13  0.95  1.0
  Ti  Ti1  1  0.56  0.13  0.05  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.07  0.0  1.0

Ti Ti Si Bi