data_Nb2WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.58
_cell_length_b   10.58
_cell_length_c   5.16
_cell_angle_alpha   90.97
_cell_angle_beta   90.97
_cell_angle_gamma   34.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2WO8
_chemical_formula_sum   'Nb4 W2 O16'
_cell_volume   325.35
_cell_formula_units_Z   2
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  Nb0  1  0.72  1.0  0.82  1.0
  Nb  Nb1  1  0.38  1.0  0.93  1.0
  Nb  Nb2  1  0.42  0.0  0.34  1.0
  Nb  Nb3  1  0.76  0.0  0.24  1.0
  W  W4  1  0.05  0.97  0.87  1.0
  W  W5  1  0.09  0.03  0.29  1.0
  O  O6  1  0.23  0.89  0.14  1.0
  O  O7  1  0.95  0.89  0.44  1.0
  O  O8  1  0.91  0.11  0.02  1.0
  O  O9  1  0.19  0.11  0.73  1.0
  O  O10  1  0.07  0.32  0.81  1.0
  O  O11  1  0.03  0.32  0.93  1.0
  O  O12  1  0.07  0.68  0.35  1.0
  O  O13  1  0.11  0.68  0.23  1.0
  O  O14  1  0.26  0.51  0.37  1.0
  O  O15  1  0.93  0.51  0.21  1.0
  O  O16  1  0.88  0.77  0.72  1.0
  O  O17  1  0.31  0.77  0.86  1.0
  O  O18  1  0.26  0.23  0.44  1.0
  O  O19  1  0.83  0.23  0.31  1.0
  O  O20  1  0.21  0.49  0.95  1.0
  O  O21  1  0.88  0.49  0.8  1.0

data_Nb2WO8
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.16
_cell_length_b   6.23
_cell_length_c   10.58
_cell_angle_alpha   107.11
_cell_angle_beta   90.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb2WO8
_chemical_formula_sum   'Nb4 W2 O16'
_cell_volume   325.35
_cell_formula_units_Z   2
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  0.24  1.0  0.14  1.0
  Nb  Nb1  2  0.34  1.0  0.81  1.0
  W  W2  2  0.29  0.97  0.45  1.0
  O  O3  2  0.14  0.77  0.08  1.0
  O  O4  2  0.14  0.11  0.72  1.0
  O  O5  2  0.21  0.49  0.8  1.0
  O  O6  2  0.23  0.32  0.82  1.0
  O  O7  2  0.28  0.77  0.51  1.0
  O  O8  2  0.35  0.32  0.78  1.0
  O  O9  2  0.37  0.49  0.13  1.0
  O  O10  2  0.44  0.11  0.45  1.0

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