data_Nb3O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3O7F
_chemical_formula_sum   'Nb3 O7 F1'
_cell_volume   139.31
_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
  Nb  Nb0  1  0.0  0.0  0.96  1.0
  Nb  Nb1  1  0.28  0.84  0.96  1.0
  Nb  Nb2  1  0.28  0.16  0.96  1.0
  O  O3  1  0.26  0.41  0.96  1.0
  O  O4  1  0.26  0.59  0.96  1.0
  O  O5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.28  0.94  0.0  1.0
  O  O7  1  0.28  0.06  0.0  1.0
  O  O8  1  0.3  0.59  0.96  1.0
  O  O9  1  0.3  0.41  0.96  1.0
  F  F10  1  0.28  0.0  0.96  1.0

data_Nb3O7F
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   117.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3O7F
_chemical_formula_sum   'Nb3 O7 F1'
_cell_volume   139.31
_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
  Nb  Nb0  1  0.96  0.0  0.0  1.0
  Nb  Nb1  1  0.96  0.28  0.84  1.0
  Nb  Nb2  1  0.96  0.28  0.16  1.0
  O  O3  1  -0.0  0.28  0.94  1.0
  O  O4  1  -0.0  0.28  0.06  1.0
  O  O5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.96  0.26  0.59  1.0
  O  O7  1  0.96  0.26  0.41  1.0
  O  O8  1  0.96  0.3  0.59  1.0
  O  O9  1  0.96  0.3  0.41  1.0
  F  F10  1  0.96  0.28  0.0  1.0

Nb Nb Nb O O O O O O O F
Nb Nb Nb O O O O O O O F 0 5 o o + 1 6 o o + 2 7 o o + 3 9 o o o 4 8 o o o 6 10 o + - 7 10 o o - 