data_Gd3NbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3NbO7
_chemical_formula_sum   'Gd6 Nb2 O14'
_cell_volume   307.57
_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
  Gd  Gd0  1  0.77  0.0  0.82  1.0
  Gd  Gd1  1  0.77  0.0  0.0  1.0
  Gd  Gd2  1  0.02  0.14  0.72  1.0
  Gd  Gd3  1  0.02  0.86  0.91  1.0
  Gd  Gd4  1  0.52  0.86  0.91  1.0
  Gd  Gd5  1  0.52  0.14  0.72  1.0
  Nb  Nb6  1  0.0  0.0  0.82  1.0
  Nb  Nb7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.06  0.33  0.57  1.0
  O  O9  1  0.06  0.67  0.06  1.0
  O  O10  1  0.06  0.33  0.24  1.0
  O  O11  1  0.06  0.67  0.39  1.0
  O  O12  1  0.48  0.67  0.06  1.0
  O  O13  1  0.48  0.33  0.57  1.0
  O  O14  1  0.48  0.67  0.39  1.0
  O  O15  1  0.48  0.33  0.24  1.0
  O  O16  1  0.77  0.4  0.72  1.0
  O  O17  1  0.77  0.6  0.91  1.0
  O  O18  1  0.77  0.55  0.72  1.0
  O  O19  1  0.77  0.45  0.91  1.0
  O  O20  1  0.77  0.35  0.72  1.0
  O  O21  1  0.77  0.65  0.91  1.0

data_Gd3NbO7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd3NbO7
_chemical_formula_sum   'Gd6 Nb2 O14'
_cell_volume   307.57
_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
  Gd  Gd0  1  0.02  0.14  0.72  1.0
  Gd  Gd1  1  0.02  0.86  0.91  1.0
  Gd  Gd2  1  0.52  0.14  0.72  1.0
  Gd  Gd3  1  0.52  0.86  0.91  1.0
  Gd  Gd4  1  0.77  0.0  -0.0  1.0
  Gd  Gd5  1  0.77  0.0  0.82  1.0
  Nb  Nb6  1  0.0  0.0  0.0  1.0
  Nb  Nb7  1  0.0  0.0  0.82  1.0
  O  O8  1  0.06  0.67  0.06  1.0
  O  O9  1  0.06  0.67  0.39  1.0
  O  O10  1  0.06  0.33  0.24  1.0
  O  O11  1  0.06  0.33  0.57  1.0
  O  O12  1  0.48  0.33  0.24  1.0
  O  O13  1  0.48  0.33  0.57  1.0
  O  O14  1  0.48  0.67  0.06  1.0
  O  O15  1  0.48  0.67  0.39  1.0
  O  O16  1  0.77  0.35  0.72  1.0
  O  O17  1  0.77  0.4  0.72  1.0
  O  O18  1  0.77  0.45  0.91  1.0
  O  O19  1  0.77  0.55  0.72  1.0
  O  O20  1  0.77  0.6  0.91  1.0
  O  O21  1  0.77  0.65  0.91  1.0

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