data_TiNbBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   132.95
_cell_angle_beta   132.95
_cell_angle_gamma   68.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbBi2
_chemical_formula_sum   'Ti1 Nb1 Bi2'
_cell_volume   115.6
_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
  Nb  Nb2  1  0.0  0.41  0.49  1.0
  Bi  Bi0  1  0.41  0.0  0.49  1.0
  Bi  Bi1  1  0.0  0.0  0.98  1.0

data_TiNbBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   6.03
_cell_angle_alpha   113.52
_cell_angle_beta   113.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbBi2
_chemical_formula_sum   'Ti1 Nb1 Bi2'
_cell_volume   115.6
_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
  Nb  Nb1  1  0.08  0.49  0.08  1.0
  Bi  Bi2  1  0.49  0.08  0.08  1.0
  Bi  Bi3  1  0.98  0.98  0.98  1.0

Ti Nb Bi Bi
Ti Nb Bi Bi 0 3 o o - 0 1 o - - 0 1 o o o 0 2 o o o 0 2 - o - 1 3 o + o 1 3 o o - 2 3 o o - 2 3 + o o 