data_Na2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14
_cell_length_b   9.14
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   157.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2Bi
_chemical_formula_sum   'Na4 Bi2'
_cell_volume   173.75
_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  0.78  0.95  0.36  1.0
  Na  Na3  1  0.78  0.05  0.07  1.0
  Na  Na4  1  0.78  0.07  0.36  1.0
  Na  Na5  1  0.78  0.93  0.07  1.0
  Bi  Bi0  1  0.78  0.85  0.36  1.0
  Bi  Bi1  1  0.78  0.15  0.07  1.0

data_Na2Bi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.57
_cell_length_b   5.43
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   101.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na2Bi
_chemical_formula_sum   'Na4 Bi2'
_cell_volume   173.75
_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  0.05  0.64  0.05  1.0
  Na  Na1  2  0.07  0.36  0.07  1.0
  Bi  Bi2  2  0.15  0.64  0.15  1.0

Na Na Na Na Bi Bi
Na Na Na Na Bi Bi 0 2 o + o 0 4 o o o 1 5 o o o 1 3 o - o 