data_NaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   3.54
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBi
_chemical_formula_sum   'Na2 Bi2'
_cell_volume   119.33
_cell_formula_units_Z   2
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
  Na  Na2  1  0.47  0.0  0.8  1.0
  Na  Na3  1  0.4  0.0  0.94  1.0
  Bi  Bi0  1  0.47  0.77  0.0  1.0
  Bi  Bi1  1  0.4  0.77  0.74  1.0

data_NaBi
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.74
_cell_length_b   3.54
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   NaBi
_chemical_formula_sum   'Na2 Bi2'
_cell_volume   119.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Na  Na0  2  0.43  0.0  0.03  1.0
  Bi  Bi1  2  0.37  0.23  0.97  1.0

Na Na Bi Bi