data_K5V3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   11.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5V3F14
_chemical_formula_sum   'K10 V6 F28'
_cell_volume   723.07
_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  0.69  0.2  0.95  1.0
  K  K1  1  0.58  0.69  0.95  1.0
  K  K2  1  0.2  0.09  0.95  1.0
  K  K3  1  0.09  0.58  0.95  1.0
  K  K4  1  0.09  0.58  0.98  1.0
  K  K5  1  0.2  0.09  0.98  1.0
  K  K6  1  0.58  0.69  0.98  1.0
  K  K7  1  0.69  0.2  0.98  1.0
  K  K8  1  0.0  0.0  0.0  1.0
  K  K9  1  0.89  0.89  0.97  1.0
  V  V10  1  0.89  0.89  0.0  1.0
  V  V11  1  0.0  0.0  0.97  1.0
  V  V12  1  0.89  0.0  0.0  1.0
  V  V13  1  0.0  0.89  0.0  1.0
  V  V14  1  0.0  0.89  0.97  1.0
  V  V15  1  0.89  0.0  0.97  1.0
  F  F16  1  0.89  0.89  0.97  1.0
  F  F17  1  0.0  0.0  0.93  1.0
  F  F18  1  0.89  0.89  0.96  1.0
  F  F19  1  0.0  0.0  0.0  1.0
  F  F20  1  0.32  0.82  0.0  1.0
  F  F21  1  0.46  0.97  0.0  1.0
  F  F22  1  0.92  0.22  0.97  1.0
  F  F23  1  0.82  0.46  0.0  1.0
  F  F24  1  0.97  0.32  0.0  1.0
  F  F25  1  0.57  0.92  0.97  1.0
  F  F26  1  0.22  0.86  0.97  1.0
  F  F27  1  0.86  0.57  0.97  1.0
  F  F28  1  0.25  0.46  0.57  1.0
  F  F29  1  0.53  0.32  0.57  1.0
  F  F30  1  0.57  0.36  0.33  1.0
  F  F31  1  0.46  0.53  0.57  1.0
  F  F32  1  0.57  0.36  0.6  1.0
  F  F33  1  0.43  0.57  0.6  1.0
  F  F34  1  0.36  0.22  0.6  1.0
  F  F35  1  0.46  0.53  0.36  1.0
  F  F36  1  0.32  0.25  0.36  1.0
  F  F37  1  0.22  0.43  0.6  1.0
  F  F38  1  0.25  0.46  0.36  1.0
  F  F39  1  0.53  0.32  0.36  1.0
  F  F40  1  0.22  0.43  0.33  1.0
  F  F41  1  0.36  0.22  0.33  1.0
  F  F42  1  0.43  0.57  0.33  1.0
  F  F43  1  0.32  0.25  0.57  1.0

data_K5V3F14
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   11.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K5V3F14
_chemical_formula_sum   'K10 V6 F28'
_cell_volume   723.07
_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  0.0  1.0
  K  K1  1  0.09  0.58  0.95  1.0
  K  K2  1  0.09  0.58  0.98  1.0
  K  K3  1  0.2  0.09  0.95  1.0
  K  K4  1  0.2  0.09  0.98  1.0
  K  K5  1  0.58  0.69  0.95  1.0
  K  K6  1  0.58  0.69  0.98  1.0
  K  K7  1  0.69  0.2  0.95  1.0
  K  K8  1  0.69  0.2  0.98  1.0
  K  K9  1  0.89  0.89  0.97  1.0
  V  V10  1  0.0  0.0  0.97  1.0
  V  V11  1  0.0  0.89  0.0  1.0
  V  V12  1  0.0  0.89  0.97  1.0
  V  V13  1  0.89  0.0  0.0  1.0
  V  V14  1  0.89  0.0  0.97  1.0
  V  V15  1  0.89  0.89  0.0  1.0
  F  F16  1  0.0  0.0  0.0  1.0
  F  F17  1  0.0  0.0  0.93  1.0
  F  F18  1  0.22  0.43  0.33  1.0
  F  F19  1  0.22  0.43  0.6  1.0
  F  F20  1  0.22  0.86  0.97  1.0
  F  F21  1  0.25  0.46  0.36  1.0
  F  F22  1  0.25  0.46  0.57  1.0
  F  F23  1  0.32  0.25  0.36  1.0
  F  F24  1  0.32  0.25  0.57  1.0
  F  F25  1  0.32  0.82  0.0  1.0
  F  F26  1  0.36  0.22  0.33  1.0
  F  F27  1  0.36  0.22  0.6  1.0
  F  F28  1  0.43  0.57  0.33  1.0
  F  F29  1  0.43  0.57  0.6  1.0
  F  F30  1  0.46  0.97  0.0  1.0
  F  F31  1  0.46  0.53  0.36  1.0
  F  F32  1  0.46  0.53  0.57  1.0
  F  F33  1  0.53  0.32  0.36  1.0
  F  F34  1  0.53  0.32  0.57  1.0
  F  F35  1  0.57  0.92  0.97  1.0
  F  F36  1  0.57  0.36  0.33  1.0
  F  F37  1  0.57  0.36  0.6  1.0
  F  F38  1  0.82  0.46  0.0  1.0
  F  F39  1  0.86  0.57  0.97  1.0
  F  F40  1  0.89  0.89  0.96  1.0
  F  F41  1  0.89  0.89  0.97  1.0
  F  F42  1  0.92  0.22  0.97  1.0
  F  F43  1  0.97  0.32  0.0  1.0

K K K K K K K K K K V V V V V V F F F F F F F F F F F F F F F F F F F F F F F F F F F F 0 7 o o o 1 6 o o o 2 5 o o o 3 4 o o o 8 19 o o o 8 11 o o - 9 18 o o o 9 16 o o o 9 10 o o + 10 16 o o - 11 17 o o o 11 19 o o + 12 15 o o - 13 14 o o - 20 26 o o - 21 25 o o - 22 24 o o + 23 27 o o - 28 37 o o o 29 32 o o o 30 39 o o o 31 33 o o o 34 43 o o o 35 42 o o o 36 41 o o o 38 40 o o o 