data_NaNb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   8.65
_cell_length_c   8.65
_cell_angle_alpha   17.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb5
_chemical_formula_sum   'Na1 Nb5'
_cell_volume   115.09
_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  0.93  1.0
  Nb  Nb1  1  0.0  0.0  0.32  1.0
  Nb  Nb2  1  0.0  0.0  0.46  1.0
  Nb  Nb3  1  0.58  0.0  0.82  1.0
  Nb  Nb4  1  0.58  0.0  0.92  1.0
  Nb  Nb5  1  0.58  0.0  0.27  1.0

data_NaNb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   5.15
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   98.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb5
_chemical_formula_sum   'Na1 Nb5'
_cell_volume   115.09
_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  0.07  0.0  0.07  1.0
  Nb  Nb1  1  0.08  0.58  0.08  1.0
  Nb  Nb2  1  0.18  0.58  0.18  1.0
  Nb  Nb3  1  0.54  0.0  0.54  1.0
  Nb  Nb4  1  0.68  0.0  0.68  1.0
  Nb  Nb5  1  0.73  0.58  0.73  1.0

Na Nb Nb Nb Nb Nb