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

_chemical_name_common                  'CIF file'
_cell_length_a                         25.05557(13)
_cell_length_b                         25.05557(13)
_cell_length_c                         25.05557(13)
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           15729.43(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_B_iso_or_equiv
   _atom_site_type_symbol
   Si         1.0    -0.0467(8)    0.1259(13)   0.0344(10)  Biso  0.611636 Si
   Al         1.0    -0.0583(8)    0.0403(11)   0.1244(12)  Biso  0.611636 Al
   O1         1.0    -0.1109(11)   0.0032(13)   0.0999(15)  Biso  1.534248 O
   O2         1.0    -0.0001(10)   0.0078(11)   0.1415(11)  Biso  1.534248 O
   O3         1.0    -0.0294(10)   0.0733(12)   0.0713(10)  Biso  1.534248 O
   O4         1.0    -0.0721(10)   0.0698(13)   0.1862(12)  Biso  1.534248 O
   Fe(III)    0.3272  0.0594(10)   0.0594(10)   0.0594(10)  Biso  4.264345 Fe
   Na(II)     1.0     0.2406(7)    0.2406(7)    0.2406(7)   Biso  3.951974 Na
   Na(I)      0.4214  0.000000     0.000000     0.000000    Biso  2.541184 Na
   Na(IV)     0.6200  0.0863(16)   0.1005(17)   0.5401(11)  Biso 16.211487 Na
   W1         0.6457  0.1590(13)   0.1590(13)   0.1590(13)  Biso  8.501320 O
   W2         1.0     0.0920(24)   0.0462(25)   0.7661(26)  Biso  8.501320 O
   W4         0.9000  0.0015(27)   0.0346(22)   0.4202(17)  Biso  8.501320 O
   W5         0.8500  0.0630(31)   0.1572(28)   0.8270(25)  Biso  8.501320 O
   W6         0.2000  0.9024(15)   0.3488(17)   0.0798(6)   Biso  8.501320 O
   W7         0.1830  0.6193(11)  -0.0315(11)   0.0259(13)  Biso  8.501320 O
   W8         0.1282  0.5884(11)   0.0884(11)   0.0884(11)  Biso  8.501320 O
