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   146.86
_cell_angle_beta   127.98
_cell_angle_gamma   63.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbBi2
_chemical_formula_sum   'Ti1 Nb1 Bi2'
_cell_volume   93.3
_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  0.49  1.0
  Nb  Nb2  1  0.0  0.64  0.2  1.0
  Bi  Bi0  1  0.0  0.64  0.91  1.0
  Bi  Bi1  1  0.0  0.0  0.81  1.0

data_TiNbBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.29
_cell_length_c   6.03
_cell_angle_alpha   116.01
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbBi2
_chemical_formula_sum   'Ti1 Nb1 Bi2'
_cell_volume   93.3
_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  0.49  0.49  1.0
  Nb  Nb1  1  0.36  0.56  0.56  1.0
  Bi  Bi2  1  0.0  0.81  0.81  1.0
  Bi  Bi3  1  0.36  0.27  0.27  1.0

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