data_KSrNb2O6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.2
_cell_length_b   12.2
_cell_length_c   12.2
_cell_angle_alpha   161.54
_cell_angle_beta   142.79
_cell_angle_gamma   41.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrNb2O6F
_chemical_formula_sum   'K2 Sr2 Nb4 O12 F2'
_cell_volume   347.15
_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
  K  K0  1  0.0  0.0  0.37  1.0
  K  K1  1  0.0  0.0  0.41  1.0
  Sr  Sr2  1  0.0  0.89  0.0  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Nb  Nb4  1  0.96  0.92  0.45  1.0
  Nb  Nb5  1  0.0  0.97  0.85  1.0
  Nb  Nb6  1  0.0  0.97  0.94  1.0
  Nb  Nb7  1  0.96  0.92  0.55  1.0
  O  O8  1  0.96  0.77  0.76  1.0
  O  O9  1  0.96  0.0  0.83  1.0
  O  O10  1  0.96  0.96  0.45  1.0
  O  O11  1  0.96  0.77  0.24  1.0
  O  O12  1  0.0  0.85  0.94  1.0
  O  O13  1  0.0  0.12  0.63  1.0
  O  O14  1  0.0  0.89  0.57  1.0
  O  O15  1  0.0  0.0  0.32  1.0
  O  O16  1  0.0  0.12  0.16  1.0
  O  O17  1  0.96  0.04  0.45  1.0
  O  O18  1  0.0  0.93  0.94  1.0
  O  O19  1  0.0  0.0  0.47  1.0
  F  F20  1  0.96  0.08  0.0  1.0
  F  F21  1  0.0  0.81  0.39  1.0

data_KSrNb2O6F
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   7.78
_cell_length_c   12.2
_cell_angle_alpha   108.61
_cell_angle_beta   99.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSrNb2O6F
_chemical_formula_sum   'K2 Sr2 Nb4 O12 F2'
_cell_volume   347.15
_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
  K  K0  1  0.59  0.59  0.59  1.0
  K  K1  1  0.63  0.63  0.63  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.89  0.89  1.0
  Nb  Nb4  1  0.06  0.03  0.03  1.0
  Nb  Nb5  1  0.15  0.12  0.12  1.0
  Nb  Nb6  1  0.41  0.38  0.33  1.0
  Nb  Nb7  1  0.5  0.47  0.43  1.0
  O  O8  1  0.06  0.91  0.91  1.0
  O  O9  1  0.06  0.99  0.99  1.0
  O  O10  1  0.13  0.17  0.13  1.0
  O  O11  1  0.2  0.01  0.96  1.0
  O  O12  1  0.37  0.49  0.49  1.0
  O  O13  1  0.43  0.32  0.32  1.0
  O  O14  1  0.51  0.51  0.46  1.0
  O  O15  1  0.51  0.59  0.55  1.0
  O  O16  1  0.53  0.53  0.53  1.0
  O  O17  1  0.68  0.68  0.68  1.0
  O  O18  1  0.72  0.53  0.49  1.0
  O  O19  1  0.84  0.97  0.97  1.0
  F  F20  1  0.61  0.42  0.42  1.0
  F  F21  1  0.96  0.08  0.04  1.0

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