data_Sr2NbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbBi
_chemical_formula_sum   'Sr2 Nb1 Bi1'
_cell_volume   128.19
_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
  Sr  Sr2  1  0.8  0.51  0.77  1.0
  Sr  Sr3  1  0.8  0.49  0.77  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.6  0.0  0.0  1.0

data_Sr2NbBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   108.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2NbBi
_chemical_formula_sum   'Sr2 Nb1 Bi1'
_cell_volume   128.19
_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
  Sr  Sr0  1  0.77  0.8  0.49  1.0
  Sr  Sr1  1  0.77  0.8  0.51  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  -0.0  0.6  0.0  1.0

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