data_NaNbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   3.21
_cell_angle_alpha   99.17
_cell_angle_beta   99.17
_cell_angle_gamma   99.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbSb2
_chemical_formula_sum   'Na1 Nb1 Sb2'
_cell_volume   89.96
_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
  Nb  Nb1  1  0.49  0.0  0.0  1.0
  Sb  Sb2  1  0.35  0.93  0.55  1.0
  Sb  Sb3  1  0.35  0.07  0.55  1.0

data_NaNbSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   99.73
_cell_angle_beta   99.17
_cell_angle_gamma   99.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbSb2
_chemical_formula_sum   'Na1 Nb1 Sb2'
_cell_volume   89.96
_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
  Nb  Nb1  1  0.0  0.49  0.0  1.0
  Sb  Sb2  1  0.55  0.35  0.07  1.0
  Sb  Sb3  1  0.55  0.35  0.93  1.0

Na Nb Sb Sb
Na Nb Sb Sb 0 1 - o o 0 1 o o o 0 2 o - - 0 2 o - o 0 3 o o - 0 3 o o o 1 2 o - - 1 3 o o - 2 3 o + o 