data_TaNbBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   131.53
_cell_angle_beta   131.53
_cell_angle_gamma   70.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbBi2
_chemical_formula_sum   'Ta1 Nb1 Bi2'
_cell_volume   90.37
_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
  Ta  Ta3  1  0.25  0.0  0.23  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.46  1.0
  Bi  Bi1  1  0.0  0.25  0.23  1.0

data_TaNbBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   5.48
_cell_angle_alpha   114.23
_cell_angle_beta   114.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbBi2
_chemical_formula_sum   'Ta1 Nb1 Bi2'
_cell_volume   90.37
_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
  Ta  Ta0  1  0.23  0.98  0.98  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.46  0.46  0.46  1.0
  Bi  Bi3  1  0.98  0.23  0.98  1.0

Ta Nb Bi Bi