data_TiSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   9.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnBi2
_chemical_formula_sum   'Ti1 Sn1 Bi2'
_cell_volume   107.67
_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  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.98  1.0
  Bi  Bi0  1  0.06  0.0  0.06  1.0
  Bi  Bi1  1  0.06  0.0  0.89  1.0

data_TiSnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   9.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnBi2
_chemical_formula_sum   'Ti1 Sn1 Bi2'
_cell_volume   107.67
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.98  1.0
  Bi  Bi2  1  0.06  0.0  0.06  1.0
  Bi  Bi3  1  0.06  0.0  0.89  1.0

Ti Sn Bi Bi
Ti Sn Bi Bi 0 1 o o - 0 2 o o o 1 3 o o o 