
#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'FANPs2-OFL'
_cell_length_a                         25.0070(10)
_cell_length_b                         25.0070(10)
_cell_length_c                         25.0070(10)
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           15638.31(14)
_space_group_name_H-M_alt              'F d -3'
_space_group_IT_number                 203

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

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_U_iso_or_equiv
   _atom_site_type_symbol
   SI1        1.0    -0.0558(9)    0.1188(8)    0.0394(9)   Uiso  0.012425 Si
   AL1        1.0    -0.0616(8)    0.0277(9)    0.1230(9)   Uiso  0.012425 Al
   O1         1.0    -0.1126(8)   -0.0187(9)    0.1203(8)   Uiso  0.016776 O
   O2         1.0     0.0048(9)    0.0098(9)    0.1331(9)   Uiso  0.016776 O
   O3         1.0    -0.0337(9)    0.0668(8)    0.0798(8)   Uiso  0.016778 O
   O4         1.0    -0.0719(8)    0.0693(9)    0.1842(8)   Uiso  0.016776 O
   Fe(III)    0.3058  0.061580     0.061580     0.061580    Biso  4.304345 Fe
   Na(II)     0.9688  0.243520     0.243520     0.243520    Biso  3.951974 Na
   Na(I)      0.7977  0.000000     0.000000     0.000000    Biso  2.540184 Na
   Na(IV)     0.5965  0.095740     0.084230     0.540460    Biso  8.626778 Na
   W1         0.7687  0.155670     0.155670     0.155670    Biso 10.080494 O
   W2         0.8470  0.096410     0.049340     0.770560    Biso  6.882261 O
   W4         0.8796 -0.008150     0.030920     0.421450    Biso 12.943866 O
   W5         0.8000  0.058010     0.158030     0.828770    Biso 15.293796 O
   W3         0.0976  0.652400     0.097720     0.097720    Biso  6.001376 O
   W6         0.2084  0.916830     0.352700     0.074390    Biso  6.272190 O
   W7         0.2000  0.635540    -0.000190     0.020490    Biso 12.641075 O
   W8         0.1247  0.593750     0.093750     0.093750    Biso  7.233569 O

