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

# CRYSTAL DATA

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

data_VESTA_phase_1


_pd_phase_name                         'MIL_47(V)_LargePore_AntiFerromagnetic1'
_cell_length_a                         16.35110
_cell_length_b                         13.90337
_cell_length_c                         6.84990
_cell_angle_alpha                      90.00001
_cell_angle_beta                       90.10788
_cell_angle_gamma                      90
_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     0.748949      0.738884      0.218514     Biso  1.000000 V
   V2         1.0     0.748949      0.761073      0.718514     Biso  1.000000 V
   V3         1.0     0.248949      0.261072      0.218516     Biso  1.000000 V
   V4         1.0     0.248949      0.238884      0.718515     Biso  1.000000 V
   O1         1.0     0.661812      0.656414      0.331681     Biso  1.000000 O
   O2         1.0     0.161814      0.156412      0.831683     Biso  1.000000 O
   O3         1.0     0.838154      0.665542      0.666276     Biso  1.000000 O
   O4         1.0     0.338156      0.165543      0.166278     Biso  1.000000 O
   O5         1.0     0.162740      0.337734      0.663367     Biso  1.000000 O
   O6         1.0     0.662742      0.837735      0.163366     Biso  1.000000 O
   O7         1.0     0.332905      0.346760      0.335587     Biso  1.000000 O
   O8         1.0     0.832907      0.846758      0.835585     Biso  1.000000 O
   O9         1.0     0.338154      0.334415      0.666277     Biso  1.000000 O
   O10        1.0     0.838156      0.834412      0.166276     Biso  1.000000 O
   O11        1.0     0.161812      0.343542      0.331683     Biso  1.000000 O
   O12        1.0     0.661814      0.843545      0.831681     Biso  1.000000 O
   O13        1.0     0.832905      0.653196      0.335585     Biso  1.000000 O
   O14        1.0     0.332907      0.153200      0.835587     Biso  1.000000 O
   O15        1.0     0.662740      0.662224      0.663366     Biso  1.000000 O
   O16        1.0     0.162742      0.162221      0.163367     Biso  1.000000 O
   O17        1.0     0.748881      0.695777      0.993098     Biso  1.000000 O
   O18        1.0     0.248882      0.195777      0.493100     Biso  1.000000 O
   O19        1.0     0.248881      0.304179      0.993101     Biso  1.000000 O
   O20        1.0     0.748882      0.804179      0.493099     Biso  1.000000 O
   C1         1.0     0.528028      0.536214      0.326525     Biso  1.000000 C
   C2         1.0     0.028031      0.036210      0.826525     Biso  1.000000 C
   C3         1.0     0.969735      0.536275      0.681339     Biso  1.000000 C
   C4         1.0     0.469732      0.036270      0.181341     Biso  1.000000 C
   C5         1.0     0.035227      0.472388      0.680620     Biso  1.000000 C
   C6         1.0     0.535224      0.972383      0.180621     Biso  1.000000 C
   C7         1.0     0.462382      0.472927      0.327329     Biso  1.000000 C
   C8         1.0     0.962385      0.972923      0.827329     Biso  1.000000 C
   C9         1.0     0.469733      0.463685      0.681340     Biso  1.000000 C
   C10        1.0     0.969735      0.963681      0.181340     Biso  1.000000 C
   C11        1.0     0.028024      0.463736      0.326527     Biso  1.000000 C
   C12        1.0     0.528034      0.963751      0.826524     Biso  1.000000 C
   C13        1.0     0.962377      0.527023      0.327330     Biso  1.000000 C
   C14        1.0     0.462387      0.027037      0.827328     Biso  1.000000 C
   C15        1.0     0.535224      0.527572      0.680620     Biso  1.000000 C
   C16        1.0     0.035227      0.027568      0.180621     Biso  1.000000 C
   C17        1.0     0.564799      0.564022      0.503117     Biso  1.000000 C
   C18        1.0     0.634876      0.632379      0.499575     Biso  1.000000 C
   C19        1.0     0.064801      0.064019      0.003118     Biso  1.000000 C
   C20        1.0     0.134878      0.132376      0.999576     Biso  1.000000 C
   C21        1.0     0.932923      0.563853      0.504653     Biso  1.000000 C
   C22        1.0     0.862952      0.632380      0.502529     Biso  1.000000 C
   C23        1.0     0.432926      0.063858      0.004654     Biso  1.000000 C
   C24        1.0     0.362955      0.132383      0.002529     Biso  1.000000 C
   C25        1.0     0.064798      0.435933      0.503118     Biso  1.000000 C
   C26        1.0     0.134876      0.367577      0.499576     Biso  1.000000 C
   C27        1.0     0.564801      0.935938      0.003117     Biso  1.000000 C
   C28        1.0     0.634878      0.867581      0.999574     Biso  1.000000 C
   C29        1.0     0.432924      0.436102      0.504654     Biso  1.000000 C
   C30        1.0     0.362953      0.367576      0.502529     Biso  1.000000 C
   C31        1.0     0.932927      0.936098      0.004653     Biso  1.000000 C
   C32        1.0     0.862955      0.867573      0.002527     Biso  1.000000 C
   H1         1.0     0.551767      0.565361      0.190387     Biso  1.000000 H
   H2         1.0     0.051770      0.065357      0.690388     Biso  1.000000 H
   H3         1.0     0.946144      0.565762      0.817398     Biso  1.000000 H
   H4         1.0     0.446135      0.065749      0.317402     Biso  1.000000 H
   H5         1.0     0.064667      0.450108      0.816080     Biso  1.000000 H
   H6         1.0     0.564659      0.950095      0.316082     Biso  1.000000 H
   H7         1.0     0.432830      0.450965      0.191877     Biso  1.000000 H
   H8         1.0     0.932834      0.950961      0.691876     Biso  1.000000 H
   H9         1.0     0.446139      0.434202      0.817401     Biso  1.000000 H
   H10        1.0     0.946141      0.934198      0.317400     Biso  1.000000 H
   H11        1.0     0.051760      0.434584      0.190390     Biso  1.000000 H
   H12        1.0     0.551775      0.934607      0.690386     Biso  1.000000 H
   H13        1.0     0.932823      0.548980      0.191878     Biso  1.000000 H
   H14        1.0     0.432838      0.049003      0.691875     Biso  1.000000 H
   H15        1.0     0.564662      0.549857      0.816081     Biso  1.000000 H
   H16        1.0     0.064664      0.049853      0.316082     Biso  1.000000 H
