data_NbSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   11.99
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbO4
_chemical_formula_sum   'Nb4 Sb4 O16'
_cell_volume   346.7
_cell_formula_units_Z   4
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
  Nb  Nb16  1  0.77  1.0  0.81  1.0
  Nb  Nb17  1  0.08  1.0  0.81  1.0
  Nb  Nb18  1  0.92  1.0  0.27  1.0
  Nb  Nb19  1  0.61  1.0  0.27  1.0
  Sb  Sb20  1  0.27  0.0  0.12  1.0
  Sb  Sb21  1  0.27  1.0  0.5  1.0
  Sb  Sb22  1  0.42  0.0  0.96  1.0
  Sb  Sb23  1  0.42  1.0  0.58  1.0
  O  O0  1  0.8  0.38  0.58  1.0
  O  O1  1  0.74  0.61  0.58  1.0
  O  O2  1  0.8  0.62  0.04  1.0
  O  O3  1  0.74  0.38  0.04  1.0
  O  O4  1  0.9  0.61  0.5  1.0
  O  O5  1  0.95  0.38  0.5  1.0
  O  O6  1  0.9  0.38  0.04  1.0
  O  O7  1  0.95  0.62  0.04  1.0
  O  O8  1  0.28  0.13  0.43  1.0
  O  O9  1  0.26  0.86  0.43  1.0
  O  O10  1  0.28  0.86  0.11  1.0
  O  O11  1  0.26  0.13  0.11  1.0
  O  O12  1  0.41  0.86  0.65  1.0
  O  O13  1  0.44  0.13  0.65  1.0
  O  O14  1  0.41  0.13  0.97  1.0
  O  O15  1  0.44  0.86  0.97  1.0

data_NbSbO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.08
_cell_length_b   5.69
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbSbO4
_chemical_formula_sum   'Nb4 Sb4 O16'
_cell_volume   346.7
_cell_formula_units_Z   4
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
  Nb  Nb0  2  0.23  0.27  0.5  1.0
  Nb  Nb1  2  0.23  0.58  0.5  1.0
  Sb  Sb2  2  0.08  0.92  0.5  1.0
  Sb  Sb3  2  0.46  0.92  0.5  1.0
  O  O4  2  0.0  0.55  0.88  1.0
  O  O5  2  0.0  0.6  0.12  1.0
  O  O6  2  0.07  0.91  0.63  1.0
  O  O7  2  0.07  0.94  0.37  1.0
  O  O8  2  0.39  0.91  0.36  1.0
  O  O9  2  0.39  0.94  0.64  1.0
  O  O10  2  0.46  0.55  0.12  1.0
  O  O11  2  0.46  0.6  0.88  1.0

Nb Nb Nb Nb Sb Sb Sb Sb O O O O O O O O O O O O O O O O
Nb Nb Nb Nb Sb Sb Sb Sb O O O O O O O O O O O O O O O O 0 6 o + o 0 1 + o o 1 5 o o o 1 4 o + + 1 6 o + o 2 3 o o o 2 4 + + o 3 7 o o o 3 4 o + o 3 6 o + - 4 6 o o - 5 7 o o o 5 16 o + o 5 17 o o o 7 20 o o o 7 21 o + o 8 13 o o o 9 12 o o o 10 15 o o o 11 14 o o o 16 19 o o o 16 21 o o o 17 18 o o o 17 20 o o o 18 23 o o - 19 22 o o - 20 23 o o o 21 22 o o o 