data_La2NbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   3.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbBi
_chemical_formula_sum   'La2 Nb1 Bi1'
_cell_volume   112.31
_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
  La  La1  1  0.72  0.62  0.71  1.0
  La  La2  1  0.72  0.38  0.71  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.45  0.0  0.0  1.0

data_La2NbBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   108.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbBi
_chemical_formula_sum   'La2 Nb1 Bi1'
_cell_volume   112.31
_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
  La  La0  1  0.71  0.72  0.38  1.0
  La  La1  1  0.71  0.72  0.62  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.45  0.0  1.0

La La Nb Bi
La La Nb Bi 0 1 o o o 0 2 + + + 1 3 o o + 2 3 o o o 