data_BaNbBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   7.1
_cell_angle_alpha   113.18
_cell_angle_beta   113.18
_cell_angle_gamma   44.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbBi2
_chemical_formula_sum   'Ba1 Nb1 Bi2'
_cell_volume   143.42
_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
  Ba  Ba0  1  0.08  0.0  0.79  1.0
  Nb  Nb3  1  0.02  0.0  0.06  1.0
  Bi  Bi1  1  0.88  0.0  0.44  1.0
  Bi  Bi2  1  0.16  0.0  0.35  1.0

data_BaNbBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   5.64
_cell_length_c   7.1
_cell_angle_alpha   113.18
_cell_angle_beta   90.0
_cell_angle_gamma   112.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNbBi2
_chemical_formula_sum   'Ba1 Nb1 Bi2'
_cell_volume   143.42
_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
  Ba  Ba0  1  0.0  0.92  0.21  1.0
  Nb  Nb1  1  0.0  0.98  0.94  1.0
  Bi  Bi2  1  0.0  0.12  0.56  1.0
  Bi  Bi3  1  0.0  0.84  0.65  1.0

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