data_Na3NbSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3NbSb
_chemical_formula_sum   'Na3 Nb1 Sb1'
_cell_volume   195.6
_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  Na2  1  0.9  0.0  0.9  1.0
  Na  Na3  1  0.9  0.9  0.0  1.0
  Na  Na4  1  0.0  0.9  0.9  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.9  0.9  0.9  1.0

data_Na3NbSb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   10.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na3NbSb
_chemical_formula_sum   'Na9 Nb3 Sb3'
_cell_volume   586.79
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.07  0.03  0.93  1.0
  Nb  Nb1  3  0.0  0.0  0.0  1.0
  Sb  Sb2  3  0.0  0.0  0.9  1.0

Na Na Na Nb Sb
Na Na Na Nb Sb 0 4 o - o 0 3 + o + 1 4 o o - 1 3 + + o 2 4 - o o 2 3 o + + 