data_NaV(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   3.54
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   110.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV(OF)2
_chemical_formula_sum   'Na2 V2 O4 F4'
_cell_volume   147.06
_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
  Na  Na4  1  0.45  0.6  0.39  1.0
  Na  Na5  1  0.34  0.83  0.19  1.0
  V  V10  1  0.33  0.87  0.41  1.0
  V  V11  1  0.46  0.64  0.18  1.0
  O  O6  1  0.24  0.62  0.91  1.0
  O  O7  1  0.72  0.88  0.97  1.0
  O  O8  1  0.07  0.65  0.62  1.0
  O  O9  1  0.55  0.85  0.67  1.0
  F  F0  1  0.13  0.83  0.76  1.0
  F  F1  1  0.78  0.84  0.63  1.0
  F  F2  1  0.01  0.61  0.95  1.0
  F  F3  1  0.66  0.6  0.82  1.0

data_NaV(OF)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   6.3
_cell_length_c   7.05
_cell_angle_alpha   110.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV(OF)2
_chemical_formula_sum   'Na2 V2 O4 F4'
_cell_volume   147.06
_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
  Na  Na0  1  0.17  0.66  0.81  1.0
  Na  Na1  1  0.4  0.55  0.61  1.0
  V  V2  1  0.13  0.67  0.59  1.0
  V  V3  1  0.36  0.54  0.82  1.0
  O  O4  1  0.12  0.28  0.03  1.0
  O  O5  1  0.15  0.45  0.33  1.0
  O  O6  1  0.35  0.93  0.38  1.0
  O  O7  1  0.38  0.76  0.09  1.0
  F  F8  1  0.16  0.22  0.37  1.0
  F  F9  1  0.17  0.87  0.24  1.0
  F  F10  1  0.39  0.99  0.05  1.0
  F  F11  1  0.4  0.34  0.18  1.0

Na Na V V O O O O F F F F