#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_pd_phase_name                         'MIL_47(V)_LargePore_Ferromagnetic'
_cell_length_a                         16.40819
_cell_length_b                         13.83627
_cell_length_c                         6.84223
_cell_angle_alpha                      90.00011
_cell_angle_beta                       90.17879
_cell_angle_gamma                      90.00002
_symmetry_space_group_name_H-M         'P 1'
_symmetry_Int_Tables_number            1

loop_
_symmetry_equiv_pos_as_xyz
   'x, y, z'

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
   V1         1.0     0.749009      0.738727      0.218503     Biso  1.000000 V
   V2         1.0     0.749010      0.761231      0.718503     Biso  1.000000 V
   V3         1.0     0.249009      0.261230      0.218505     Biso  1.000000 V
   V4         1.0     0.249009      0.238728      0.718505     Biso  1.000000 V
   O1         1.0     0.661311      0.656679      0.330495     Biso  1.000000 O
   O2         1.0     0.161314      0.156676      0.830497     Biso  1.000000 O
   O3         1.0     0.838802      0.666154      0.667122     Biso  1.000000 O
   O4         1.0     0.338804      0.166157      0.167124     Biso  1.000000 O
   O5         1.0     0.163703      0.338814      0.662583     Biso  1.000000 O
   O6         1.0     0.663705      0.838817      0.162582     Biso  1.000000 O
   O7         1.0     0.331879      0.348165      0.336593     Biso  1.000000 O
   O8         1.0     0.831882      0.848161      0.836592     Biso  1.000000 O
   O9         1.0     0.338802      0.333803      0.667125     Biso  1.000000 O
   O10        1.0     0.838804      0.833800      0.167124     Biso  1.000000 O
   O11        1.0     0.161310      0.343278      0.330497     Biso  1.000000 O
   O12        1.0     0.661314      0.843283      0.830496     Biso  1.000000 O
   O13        1.0     0.831878      0.651791      0.336591     Biso  1.000000 O
   O14        1.0     0.331881      0.151796      0.836592     Biso  1.000000 O
   O15        1.0     0.663704      0.661144      0.662581     Biso  1.000000 O
   O16        1.0     0.163706      0.161140      0.162582     Biso  1.000000 O
   O17        1.0     0.748923      0.695474      0.992716     Biso  1.000000 O
   O18        1.0     0.248925      0.195474      0.492718     Biso  1.000000 O
   O19        1.0     0.248923      0.304484      0.992718     Biso  1.000000 O
   O20        1.0     0.748925      0.804484      0.492716     Biso  1.000000 O
   C1         1.0     0.526308      0.538440      0.326663     Biso  1.000000 C
   C2         1.0     0.026314      0.038431      0.826663     Biso  1.000000 C
   C3         1.0     0.971397      0.538312      0.681284     Biso  1.000000 C
   C4         1.0     0.471395      0.038308      0.181286     Biso  1.000000 C
   C5         1.0     0.036994      0.474578      0.680160     Biso  1.000000 C
   C6         1.0     0.536992      0.974575      0.180162     Biso  1.000000 C
   C7         1.0     0.460560      0.475312      0.327914     Biso  1.000000 C
   C8         1.0     0.960567      0.975304      0.827913     Biso  1.000000 C
   C9         1.0     0.471397      0.461648      0.681286     Biso  1.000000 C
   C10        1.0     0.971399      0.961645      0.181286     Biso  1.000000 C
   C11        1.0     0.026303      0.461509      0.326665     Biso  1.000000 C
   C12        1.0     0.526314      0.961527      0.826662     Biso  1.000000 C
   C13        1.0     0.960555      0.524637      0.327915     Biso  1.000000 C
   C14        1.0     0.460567      0.024654      0.827912     Biso  1.000000 C
   C15        1.0     0.536993      0.525381      0.680161     Biso  1.000000 C
   C16        1.0     0.036995      0.025378      0.180162     Biso  1.000000 C
   C17        1.0     0.564861      0.563909      0.502728     Biso  1.000000 C
   C18        1.0     0.635088      0.632069      0.498749     Biso  1.000000 C
   C19        1.0     0.064865      0.063904      0.002728     Biso  1.000000 C
   C20        1.0     0.135091      0.132065      0.998750     Biso  1.000000 C
   C21        1.0     0.932832      0.563594      0.505128     Biso  1.000000 C
   C22        1.0     0.862786      0.632042      0.503368     Biso  1.000000 C
   C23        1.0     0.432836      0.063601      0.005129     Biso  1.000000 C
   C24        1.0     0.362790      0.132046      0.003369     Biso  1.000000 C
   C25        1.0     0.064859      0.436045      0.502728     Biso  1.000000 C
   C26        1.0     0.135087      0.367888      0.498749     Biso  1.000000 C
   C27        1.0     0.564864      0.936052      0.002727     Biso  1.000000 C
   C28        1.0     0.635091      0.867892      0.998748     Biso  1.000000 C
   C29        1.0     0.432834      0.436360      0.505129     Biso  1.000000 C
   C30        1.0     0.362787      0.367914      0.503369     Biso  1.000000 C
   C31        1.0     0.932838      0.936355      0.005129     Biso  1.000000 C
   C32        1.0     0.862791      0.867910      0.003368     Biso  1.000000 C
   H1         1.0     0.548694      0.569279      0.190595     Biso  1.000000 H
   H2         1.0     0.048702      0.069269      0.690594     Biso  1.000000 H
   H3         1.0     0.949163      0.569501      0.817246     Biso  1.000000 H
   H4         1.0     0.449155      0.069488      0.317252     Biso  1.000000 H
   H5         1.0     0.067852      0.454124      0.815186     Biso  1.000000 H
   H6         1.0     0.567844      0.954112      0.315190     Biso  1.000000 H
   H7         1.0     0.429598      0.455177      0.192916     Biso  1.000000 H
   H8         1.0     0.929605      0.955167      0.692914     Biso  1.000000 H
   H9         1.0     0.449159      0.430463      0.817250     Biso  1.000000 H
   H10        1.0     0.949160      0.930462      0.317251     Biso  1.000000 H
   H11        1.0     0.048686      0.430666      0.190598     Biso  1.000000 H
   H12        1.0     0.548704      0.930691      0.690592     Biso  1.000000 H
   H13        1.0     0.929589      0.544767      0.192917     Biso  1.000000 H
   H14        1.0     0.429607      0.044793      0.692912     Biso  1.000000 H
   H15        1.0     0.567848      0.545840      0.815188     Biso  1.000000 H
   H16        1.0     0.067849      0.045839      0.315189     Biso  1.000000 H
