data_I
_chemical_formula_sum                    'F1 K1 O1 P1 V1'
_symmetry_cell_setting                   orthorhombic
_symmetry_space_group_name_H-M           'P n a 21'
_symmetry_space_group_name_Hall          'P -2xabc;-2yab;2zc'
_symmetry_Int_Tables_number              33

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -x,-y,z+1/2
 3   x+1/2,-y+1/2,z
 4   -x+1/2,y+1/2,z+1/2

_cell_length_a                           12.79132(11)
_cell_length_b                           6.38187(5)
_cell_length_c                           10.54558(7)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        90
_cell_volume                             860.862(12)


_cell_formula_units_Z                    1

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 F    0.0131  0.0078
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 K    0.1658  0.1934
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O    0.0081  0.0046
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 P    0.0818  0.0724
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 V    0.2616  0.4137
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  K1 K 0.381687 0.779374 0.306644 Uani 0.0294 4 1 d . . .
  K2 K 0.103525 0.701308 0.059879 Uani 0.0307 4 1 d . . .
  V1 V 0.38062 0.496963 -0.000279 Uiso 0.0144 4 1 d . . .
  V2 V 0.247697 0.258964 0.242726 Uiso 0.0143 4 1 d . . .
  P1 P 0.498106 0.330766 0.248073 Uiso 0.0106 4 1 d . . .
  P2 P 0.179728 0.498963 0.500551 Uiso 0.0106 4 1 d . . .
  O1 O 0.482996 0.487401 0.138376 Uiso 0.0065 4 1 d . . .
  O2 O 0.510917 0.467118 0.368616 Uiso 0.0065 4 1 d . . .
  O3 O 0.400236 0.196176 0.272056 Uiso 0.0065 4 1 d . . .
  O4 O 0.59475 0.190833 0.230669 Uiso 0.0065 4 1 d . . .
  O5 O 0.109785 0.309893 0.531836 Uiso 0.0065 4 1 d . . .
  O6 O 0.110854 0.690712 0.471988 Uiso 0.0065 4 1 d . . .
  O7 O 0.25129 0.532394 0.616397 Uiso 0.0065 4 1 d . . .
  O8 O 0.254151 0.454954 0.388767 Uiso 0.0065 4 1 d . . .
  F1 F 0.279873 0.528855 0.879126 Uiso 0.0293 4 1 d . . .
  F2 F 0.268906 0.469951 0.128839 Uiso 0.0293 4 1 d . . .

loop_
 _atom_site_aniso_label
 _atom_site_aniso_type_symbol
 _atom_site_aniso_U_11
 _atom_site_aniso_U_22
 _atom_site_aniso_U_33
 _atom_site_aniso_U_12
 _atom_site_aniso_U_13
 _atom_site_aniso_U_23
 K1 K 0.033272 0.020623 0.034288 0.008391 0.009082 -0.003372
 K2 K 0.023226 0.026233 0.042598 0.006071 0.002064 -0.006608

loop_
 _jana_atom_site_ADP_C_label
 _jana_atom_site_ADP_C_type_symbol
 _jana_atom_site_ADP_C_111
 _jana_atom_site_ADP_C_112
 _jana_atom_site_ADP_C_113
 _jana_atom_site_ADP_C_122
 _jana_atom_site_ADP_C_123
 _jana_atom_site_ADP_C_133
 _jana_atom_site_ADP_C_222
 _jana_atom_site_ADP_C_223
 _jana_atom_site_ADP_C_233
 _jana_atom_site_ADP_C_333
 ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_D_label
 _jana_atom_site_ADP_D_type_symbol
 _jana_atom_site_ADP_D_1111
 _jana_atom_site_ADP_D_1112
 _jana_atom_site_ADP_D_1113
 _jana_atom_site_ADP_D_1122
 _jana_atom_site_ADP_D_1123
 _jana_atom_site_ADP_D_1133
 _jana_atom_site_ADP_D_1222
 _jana_atom_site_ADP_D_1223
 _jana_atom_site_ADP_D_1233
 _jana_atom_site_ADP_D_1333
 _jana_atom_site_ADP_D_2222
 _jana_atom_site_ADP_D_2223
 _jana_atom_site_ADP_D_2233
 _jana_atom_site_ADP_D_2333
 _jana_atom_site_ADP_D_3333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_E_label
 _jana_atom_site_ADP_E_type_symbol
 _jana_atom_site_ADP_E_11111
 _jana_atom_site_ADP_E_11112
 _jana_atom_site_ADP_E_11113
 _jana_atom_site_ADP_E_11122
 _jana_atom_site_ADP_E_11123
 _jana_atom_site_ADP_E_11133
 _jana_atom_site_ADP_E_11222
 _jana_atom_site_ADP_E_11223
 _jana_atom_site_ADP_E_11233
 _jana_atom_site_ADP_E_11333
 _jana_atom_site_ADP_E_12222
 _jana_atom_site_ADP_E_12223
 _jana_atom_site_ADP_E_12233
 _jana_atom_site_ADP_E_12333
 _jana_atom_site_ADP_E_13333
 _jana_atom_site_ADP_E_22222
 _jana_atom_site_ADP_E_22223
 _jana_atom_site_ADP_E_22233
 _jana_atom_site_ADP_E_22333
 _jana_atom_site_ADP_E_23333
 _jana_atom_site_ADP_E_33333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_F_label
 _jana_atom_site_ADP_F_type_symbol
 _jana_atom_site_ADP_F_111111
 _jana_atom_site_ADP_F_111112
 _jana_atom_site_ADP_F_111113
 _jana_atom_site_ADP_F_111122
 _jana_atom_site_ADP_F_111123
 _jana_atom_site_ADP_F_111133
 _jana_atom_site_ADP_F_111222
 _jana_atom_site_ADP_F_111223
 _jana_atom_site_ADP_F_111233
 _jana_atom_site_ADP_F_111333
 _jana_atom_site_ADP_F_112222
 _jana_atom_site_ADP_F_112223
 _jana_atom_site_ADP_F_112233
 _jana_atom_site_ADP_F_112333
 _jana_atom_site_ADP_F_113333
 _jana_atom_site_ADP_F_122222
 _jana_atom_site_ADP_F_122223
 _jana_atom_site_ADP_F_122233
 _jana_atom_site_ADP_F_122333
 _jana_atom_site_ADP_F_123333
 _jana_atom_site_ADP_F_133333
 _jana_atom_site_ADP_F_222222
 _jana_atom_site_ADP_F_222223
 _jana_atom_site_ADP_F_222233
 _jana_atom_site_ADP_F_222333
 _jana_atom_site_ADP_F_223333
 _jana_atom_site_ADP_F_233333
 _jana_atom_site_ADP_F_333333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

