data_Na5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   140.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5Bi
_chemical_formula_sum   'Na5 Bi1'
_cell_volume   186.37
_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
  Na  Na1  1  0.56  0.14  0.0  1.0
  Na  Na2  1  0.56  0.92  0.57  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Na  Na4  1  0.56  0.08  0.57  1.0
  Na  Na5  1  0.56  0.86  0.0  1.0
  Bi  Bi0  1  0.56  0.0  0.57  1.0

data_Na5Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.12
_cell_length_b   5.14
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   109.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5Bi
_chemical_formula_sum   'Na5 Bi1'
_cell_volume   186.37
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.08  0.43  0.52  1.0
  Na  Na2  1  0.14  0.0  0.58  1.0
  Na  Na3  1  0.86  -0.0  0.29  1.0
  Na  Na4  1  0.92  0.43  0.35  1.0
  Bi  Bi5  1  0.0  0.43  0.44  1.0

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