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

_chemical_name_common                  'FANPs1-OFL'
_cell_length_a                         25.0370(10)
_cell_length_b                         25.0370(10)
_cell_length_c                         25.0370(10)
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           15694.51(13)
_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    -0.0490(10)   0.1255(11)   0.0271(12)  Uiso  0.012425 Si
   AL1        1.0    -0.0462(9)    0.0295(9)    0.1255(8)   Uiso  0.012425 Al
   O1         1.0    -0.0952(10)  -0.0197(10)   0.1160(11)  Uiso  0.016776 O
   O2         1.0    -0.00356(10)  0.0458(10)   0.0711(9)   Uiso  0.016776 O
   O3         1.0    -0.0470(10)   0.0833(10)   0.0819(10)  Uiso  0.016778 O
   O4         1.0    -0.06325(5)   0.0752(8)    0.1755(8)   Uiso  0.016776 O
   Fe(III)    0.3272  0.059420     0.059420     0.059420    Biso  4.264345 Fe
   Na(II)     1.0     0.240640     0.240640     0.240640    Biso  3.951974 Na
   Na(I)      0.4214  0.000000     0.000000     0.000000    Biso  2.541184 Na
   Na(IV)     0.6200  0.086330     0.100510     0.540120    Biso 16.211487 Na
   W1         0.6457  0.159050     0.159050     0.159050    Biso  8.501320 O
   W2         1.0     0.092020     0.046250     0.766150    Biso  8.501320 O
   W4         0.9000  0.001540     0.034640     0.420240    Biso  8.501320 O
   W5         0.8500  0.063050     0.157200     0.827020    Biso  8.501320 O
   W6         0.2000  0.902470     0.348890     0.079880    Biso  8.501320 O
   W7         0.1830  0.619310    -0.031570     0.025960    Biso  8.501320 O
   W8         0.1282  0.588370     0.088370     0.088370    Biso  8.501320 O

