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

_chemical_name_common                  '801_vasp'
_cell_length_a                         17.986254
_cell_length_b                         17.986254
_cell_length_c                         17.986254
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           5818.648835
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_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
   Zr1         1.0     0.137674     0.007510     0.512141    Biso  1.000000 Zr
   Zr2         1.0     0.862326     0.992489     0.487859    Biso  1.000000 Zr
   Zr3         1.0     0.362326     0.492490     0.512142    Biso  1.000000 Zr
   Zr4         1.0     0.637674     0.507511     0.487859    Biso  1.000000 Zr
   Zr5         1.0     0.362325     0.007511     0.987858    Biso  1.000000 Zr
   Zr6         1.0     0.637675     0.992489     0.012141    Biso  1.000000 Zr
   Zr7         1.0     0.137674     0.492489     0.987858    Biso  1.000000 Zr
   Zr8         1.0     0.862326     0.507511     0.012141    Biso  1.000000 Zr
   Zr9         1.0     0.016414     0.637040     0.011465    Biso  1.000000 Zr
   Zr10        1.0     0.983586     0.362960     0.988535    Biso  1.000000 Zr
   Zr11        1.0     0.016415     0.862960     0.488535    Biso  1.000000 Zr
   Zr12        1.0     0.983586     0.137040     0.511465    Biso  1.000000 Zr
   Zr13        1.0     0.483586     0.862960     0.011465    Biso  1.000000 Zr
   Zr14        1.0     0.516415     0.137040     0.988535    Biso  1.000000 Zr
   Zr15        1.0     0.483586     0.637040     0.488535    Biso  1.000000 Zr
   Zr16        1.0     0.516415     0.362961     0.511465    Biso  1.000000 Zr
   Zr17        1.0     0.512104     0.512259     0.640246    Biso  1.000000 Zr
   Zr18        1.0     0.487896     0.487742     0.359754    Biso  1.000000 Zr
   Zr19        1.0     0.987896     0.512258     0.859754    Biso  1.000000 Zr
   Zr20        1.0     0.012104     0.487741     0.140246    Biso  1.000000 Zr
   Zr21        1.0     0.512103     0.987741     0.859754    Biso  1.000000 Zr
   Zr22        1.0     0.487896     0.012258     0.140246    Biso  1.000000 Zr
   Zr23        1.0     0.987896     0.987741     0.640246    Biso  1.000000 Zr
   Zr24        1.0     0.012104     0.012259     0.359755    Biso  1.000000 Zr
   O1          1.0     0.207494     0.907992     0.508489    Biso  1.000000 O
   O2          1.0     0.188074     0.124335     0.527278    Biso  1.000000 O
   O3          1.0     0.187005     0.001763     0.625860    Biso  1.000000 O
   O4          1.0     0.206366     0.022108     0.408433    Biso  1.000000 O
   O5          1.0     0.074118     0.087466     0.440817    Biso  1.000000 O
   O6          1.0     0.792505     0.092008     0.491511    Biso  1.000000 O
   O7          1.0     0.811926     0.875665     0.472723    Biso  1.000000 O
   O8          1.0     0.812995     0.998237     0.374140    Biso  1.000000 O
   O9          1.0     0.793634     0.977892     0.591567    Biso  1.000000 O
   O10         1.0     0.925882     0.912535     0.559183    Biso  1.000000 O
   O11         1.0     0.292505     0.592008     0.508489    Biso  1.000000 O
   O12         1.0     0.311926     0.375665     0.527277    Biso  1.000000 O
   O13         1.0     0.312995     0.498237     0.625860    Biso  1.000000 O
   O14         1.0     0.293634     0.477892     0.408433    Biso  1.000000 O
   O15         1.0     0.425882     0.412534     0.440817    Biso  1.000000 O
   O16         1.0     0.707495     0.407992     0.491511    Biso  1.000000 O
   O17         1.0     0.688074     0.624335     0.472723    Biso  1.000000 O
   O18         1.0     0.687005     0.501763     0.374140    Biso  1.000000 O
   O19         1.0     0.706366     0.522108     0.591567    Biso  1.000000 O
   O20         1.0     0.574118     0.587466     0.559183    Biso  1.000000 O
   O21         1.0     0.292506     0.907992     0.991511    Biso  1.000000 O
   O22         1.0     0.311926     0.124335     0.972723    Biso  1.000000 O
   O23         1.0     0.312995     0.001763     0.874141    Biso  1.000000 O
   O24         1.0     0.293634     0.022108     0.091567    Biso  1.000000 O
   O25         1.0     0.425883     0.087466     0.059183    Biso  1.000000 O
   O26         1.0     0.707494     0.092008     0.008489    Biso  1.000000 O
   O27         1.0     0.688074     0.875665     0.027277    Biso  1.000000 O
   O28         1.0     0.687005     0.998237     0.125860    Biso  1.000000 O
   O29         1.0     0.706366     0.977892     0.908433    Biso  1.000000 O
   O30         1.0     0.574118     0.912534     0.940817    Biso  1.000000 O
   O31         1.0     0.207495     0.592008     0.991511    Biso  1.000000 O
   O32         1.0     0.188074     0.375665     0.972723    Biso  1.000000 O
   O33         1.0     0.187005     0.498237     0.874140    Biso  1.000000 O
   O34         1.0     0.206366     0.477892     0.091567    Biso  1.000000 O
   O35         1.0     0.074118     0.412534     0.059183    Biso  1.000000 O
   O36         1.0     0.792506     0.407992     0.008489    Biso  1.000000 O
   O37         1.0     0.811926     0.624335     0.027278    Biso  1.000000 O
   O38         1.0     0.812995     0.501763     0.125860    Biso  1.000000 O
   O39         1.0     0.793634     0.522108     0.908433    Biso  1.000000 O
   O40         1.0     0.925882     0.587466     0.940817    Biso  1.000000 O
   O41         1.0     0.012400     0.706208     0.908025    Biso  1.000000 O
   O42         1.0     0.030552     0.687075     0.124710    Biso  1.000000 O
   O43         1.0     0.126224     0.687269     0.006125    Biso  1.000000 O
   O44         1.0     0.908713     0.706923     0.026303    Biso  1.000000 O
   O45         1.0     0.938323     0.574589     0.085623    Biso  1.000000 O
   O46         1.0     0.987600     0.293792     0.091975    Biso  1.000000 O
   O47         1.0     0.969448     0.312925     0.875290    Biso  1.000000 O
   O48         1.0     0.873777     0.312731     0.993875    Biso  1.000000 O
   O49         1.0     0.091286     0.293077     0.973697    Biso  1.000000 O
   O50         1.0     0.061677     0.425411     0.914377    Biso  1.000000 O
   O51         1.0     0.012400     0.793792     0.591975    Biso  1.000000 O
   O52         1.0     0.030552     0.812925     0.375290    Biso  1.000000 O
   O53         1.0     0.126223     0.812731     0.493875    Biso  1.000000 O
   O54         1.0     0.908713     0.793077     0.473696    Biso  1.000000 O
   O55         1.0     0.938323     0.925411     0.414377    Biso  1.000000 O
   O56         1.0     0.987600     0.206208     0.408025    Biso  1.000000 O
   O57         1.0     0.969448     0.187075     0.624710    Biso  1.000000 O
   O58         1.0     0.873777     0.187269     0.506125    Biso  1.000000 O
   O59         1.0     0.091287     0.206923     0.526303    Biso  1.000000 O
   O60         1.0     0.061677     0.074589     0.585623    Biso  1.000000 O
   O61         1.0     0.487600     0.793792     0.908025    Biso  1.000000 O
   O62         1.0     0.469448     0.812925     0.124710    Biso  1.000000 O
   O63         1.0     0.373777     0.812731     0.006125    Biso  1.000000 O
   O64         1.0     0.591286     0.793077     0.026303    Biso  1.000000 O
   O65         1.0     0.561677     0.925411     0.085623    Biso  1.000000 O
   O66         1.0     0.512400     0.206208     0.091975    Biso  1.000000 O
   O67         1.0     0.530552     0.187075     0.875290    Biso  1.000000 O
   O68         1.0     0.626223     0.187269     0.993875    Biso  1.000000 O
   O69         1.0     0.408713     0.206923     0.973697    Biso  1.000000 O
   O70         1.0     0.438323     0.074589     0.914377    Biso  1.000000 O
   O71         1.0     0.487600     0.706208     0.591975    Biso  1.000000 O
   O72         1.0     0.469448     0.687075     0.375290    Biso  1.000000 O
   O73         1.0     0.373777     0.687269     0.493875    Biso  1.000000 O
   O74         1.0     0.591286     0.706923     0.473697    Biso  1.000000 O
   O75         1.0     0.561677     0.574589     0.414377    Biso  1.000000 O
   O76         1.0     0.512400     0.293792     0.408025    Biso  1.000000 O
   O77         1.0     0.530552     0.312925     0.624710    Biso  1.000000 O
   O78         1.0     0.626223     0.312731     0.506125    Biso  1.000000 O
   O79         1.0     0.408713     0.293077     0.526303    Biso  1.000000 O
   O80         1.0     0.438323     0.425411     0.585623    Biso  1.000000 O
   O81         1.0     0.408566     0.508447     0.708523    Biso  1.000000 O
   O82         1.0     0.624901     0.526829     0.688500    Biso  1.000000 O
   O83         1.0     0.506165     0.626001     0.688395    Biso  1.000000 O
   O84         1.0     0.526189     0.408354     0.707993    Biso  1.000000 O
   O85         1.0     0.573153     0.449328     0.566000    Biso  1.000000 O
   O86         1.0     0.591434     0.491553     0.291477    Biso  1.000000 O
   O87         1.0     0.375099     0.473171     0.311500    Biso  1.000000 O
   O88         1.0     0.493835     0.373999     0.311605    Biso  1.000000 O
   O89         1.0     0.473811     0.591646     0.292007    Biso  1.000000 O
   O90         1.0     0.426847     0.550672     0.434000    Biso  1.000000 O
   O91         1.0     0.091434     0.508447     0.791477    Biso  1.000000 O
   O92         1.0     0.875099     0.526829     0.811500    Biso  1.000000 O
   O93         1.0     0.993835     0.626001     0.811605    Biso  1.000000 O
   O94         1.0     0.973811     0.408354     0.792007    Biso  1.000000 O
   O95         1.0     0.926847     0.449328     0.934000    Biso  1.000000 O
   O96         1.0     0.908566     0.491553     0.208523    Biso  1.000000 O
   O97         1.0     0.124901     0.473171     0.188500    Biso  1.000000 O
   O98         1.0     0.006165     0.373999     0.188395    Biso  1.000000 O
   O99         1.0     0.026189     0.591646     0.207993    Biso  1.000000 O
   O100        1.0     0.073154     0.550672     0.066000    Biso  1.000000 O
   O101        1.0     0.408566     0.991553     0.791476    Biso  1.000000 O
   O102        1.0     0.624901     0.973171     0.811500    Biso  1.000000 O
   O103        1.0     0.506165     0.873999     0.811604    Biso  1.000000 O
   O104        1.0     0.526189     0.091646     0.792007    Biso  1.000000 O
   O105        1.0     0.573154     0.050672     0.934000    Biso  1.000000 O
   O106        1.0     0.591434     0.008447     0.208523    Biso  1.000000 O
   O107        1.0     0.375099     0.026829     0.188500    Biso  1.000000 O
   O108        1.0     0.493835     0.126001     0.188395    Biso  1.000000 O
   O109        1.0     0.473811     0.908354     0.207993    Biso  1.000000 O
   O110        1.0     0.426847     0.949328     0.066000    Biso  1.000000 O
   O111        1.0     0.091434     0.991553     0.708523    Biso  1.000000 O
   O112        1.0     0.875099     0.973171     0.688500    Biso  1.000000 O
   O113        1.0     0.993835     0.873999     0.688395    Biso  1.000000 O
   O114        1.0     0.973811     0.091646     0.707993    Biso  1.000000 O
   O115        1.0     0.926847     0.050672     0.566000    Biso  1.000000 O
   O116        1.0     0.908566     0.008447     0.291477    Biso  1.000000 O
   O117        1.0     0.124901     0.026829     0.311500    Biso  1.000000 O
   O118        1.0     0.006165     0.126001     0.311605    Biso  1.000000 O
   O119        1.0     0.026189     0.908354     0.292007    Biso  1.000000 O
   O120        1.0     0.073154     0.949328     0.434000    Biso  1.000000 O
   O121        1.0     0.439226     0.938398     0.934148    Biso  1.000000 O
   O122        1.0     0.560773     0.061602     0.065852    Biso  1.000000 O
   O123        1.0     0.060773     0.561602     0.934148    Biso  1.000000 O
   O124        1.0     0.939227     0.438398     0.065852    Biso  1.000000 O
   O125        1.0     0.060773     0.938398     0.565852    Biso  1.000000 O
   O126        1.0     0.939226     0.061603     0.434148    Biso  1.000000 O
   O127        1.0     0.439226     0.561602     0.565852    Biso  1.000000 O
   O128        1.0     0.560773     0.438398     0.434148    Biso  1.000000 O
   C1          1.0     0.160631     0.190163     0.528227    Biso  1.000000 C
   C2          1.0     0.212920     0.254240     0.530384    Biso  1.000000 C
   C3          1.0     0.191634     0.839235     0.500891    Biso  1.000000 C
   C4          1.0     0.255024     0.786930     0.500371    Biso  1.000000 C
   C5          1.0     0.839369     0.809837     0.471773    Biso  1.000000 C
   C6          1.0     0.787080     0.745760     0.469616    Biso  1.000000 C
   C7          1.0     0.808366     0.160765     0.499108    Biso  1.000000 C
   C8          1.0     0.744976     0.213070     0.499629    Biso  1.000000 C
   C9          1.0     0.339369     0.309837     0.528227    Biso  1.000000 C
   C10         1.0     0.287080     0.245759     0.530384    Biso  1.000000 C
   C11         1.0     0.308366     0.660764     0.500891    Biso  1.000000 C
   C12         1.0     0.244976     0.713070     0.500371    Biso  1.000000 C
   C13         1.0     0.660631     0.690163     0.471773    Biso  1.000000 C
   C14         1.0     0.712921     0.754241     0.469616    Biso  1.000000 C
   C15         1.0     0.691634     0.339235     0.499109    Biso  1.000000 C
   C16         1.0     0.755024     0.286930     0.499629    Biso  1.000000 C
   C17         1.0     0.339369     0.190163     0.971773    Biso  1.000000 C
   C18         1.0     0.287080     0.254240     0.969616    Biso  1.000000 C
   C19         1.0     0.308366     0.839236     0.999108    Biso  1.000000 C
   C20         1.0     0.244976     0.786930     0.999629    Biso  1.000000 C
   C21         1.0     0.660631     0.809837     0.028227    Biso  1.000000 C
   C22         1.0     0.712920     0.745759     0.030384    Biso  1.000000 C
   C23         1.0     0.691634     0.160765     0.000891    Biso  1.000000 C
   C24         1.0     0.755024     0.213070     0.000371    Biso  1.000000 C
   C25         1.0     0.160631     0.309837     0.971773    Biso  1.000000 C
   C26         1.0     0.212921     0.245759     0.969616    Biso  1.000000 C
   C27         1.0     0.191634     0.660765     0.999109    Biso  1.000000 C
   C28         1.0     0.255024     0.713070     0.999629    Biso  1.000000 C
   C29         1.0     0.839369     0.690163     0.028227    Biso  1.000000 C
   C30         1.0     0.787080     0.754240     0.030384    Biso  1.000000 C
   C31         1.0     0.808366     0.339235     0.000892    Biso  1.000000 C
   C32         1.0     0.744976     0.286930     0.000371    Biso  1.000000 C
   C33         1.0     0.031722     0.660423     0.190639    Biso  1.000000 C
   C34         1.0     0.036191     0.712945     0.254336    Biso  1.000000 C
   C35         1.0     0.004956     0.690583     0.838996    Biso  1.000000 C
   C36         1.0     0.006913     0.754531     0.787008    Biso  1.000000 C
   C37         1.0     0.968278     0.339577     0.809361    Biso  1.000000 C
   C38         1.0     0.963809     0.287055     0.745664    Biso  1.000000 C
   C39         1.0     0.995044     0.309417     0.161004    Biso  1.000000 C
   C40         1.0     0.993087     0.245469     0.212992    Biso  1.000000 C
   C41         1.0     0.031722     0.839577     0.309361    Biso  1.000000 C
   C42         1.0     0.036191     0.787055     0.245664    Biso  1.000000 C
   C43         1.0     0.004956     0.809417     0.661004    Biso  1.000000 C
   C44         1.0     0.006913     0.745469     0.712992    Biso  1.000000 C
   C45         1.0     0.968278     0.160423     0.690639    Biso  1.000000 C
   C46         1.0     0.963809     0.212945     0.754336    Biso  1.000000 C
   C47         1.0     0.995044     0.190583     0.338996    Biso  1.000000 C
   C48         1.0     0.993087     0.254531     0.287008    Biso  1.000000 C
   C49         1.0     0.468278     0.839577     0.190639    Biso  1.000000 C
   C50         1.0     0.463809     0.787055     0.254336    Biso  1.000000 C
   C51         1.0     0.495044     0.809417     0.838996    Biso  1.000000 C
   C52         1.0     0.493087     0.745469     0.787008    Biso  1.000000 C
   C53         1.0     0.531722     0.160423     0.809361    Biso  1.000000 C
   C54         1.0     0.536191     0.212945     0.745664    Biso  1.000000 C
   C55         1.0     0.504956     0.190583     0.161004    Biso  1.000000 C
   C56         1.0     0.506913     0.254531     0.212992    Biso  1.000000 C
   C57         1.0     0.468278     0.660423     0.309361    Biso  1.000000 C
   C58         1.0     0.463809     0.712945     0.245664    Biso  1.000000 C
   C59         1.0     0.495044     0.690583     0.661004    Biso  1.000000 C
   C60         1.0     0.493087     0.754531     0.712992    Biso  1.000000 C
   C61         1.0     0.531722     0.339577     0.690639    Biso  1.000000 C
   C62         1.0     0.536191     0.287055     0.754336    Biso  1.000000 C
   C63         1.0     0.504956     0.309417     0.338996    Biso  1.000000 C
   C64         1.0     0.506913     0.245469     0.287008    Biso  1.000000 C
   C65         1.0     0.690339     0.523840     0.660869    Biso  1.000000 C
   C66         1.0     0.754382     0.523725     0.712948    Biso  1.000000 C
   C67         1.0     0.339625     0.505143     0.691405    Biso  1.000000 C
   C68         1.0     0.286962     0.507087     0.754797    Biso  1.000000 C
   C69         1.0     0.309661     0.476160     0.339131    Biso  1.000000 C
   C70         1.0     0.245618     0.476275     0.287052    Biso  1.000000 C
   C71         1.0     0.660375     0.494857     0.308596    Biso  1.000000 C
   C72         1.0     0.713039     0.492913     0.245203    Biso  1.000000 C
   C73         1.0     0.809661     0.523840     0.839131    Biso  1.000000 C
   C74         1.0     0.745618     0.523725     0.787052    Biso  1.000000 C
   C75         1.0     0.160375     0.505143     0.808596    Biso  1.000000 C
   C76         1.0     0.213039     0.507087     0.745203    Biso  1.000000 C
   C77         1.0     0.190339     0.476160     0.160869    Biso  1.000000 C
   C78         1.0     0.254382     0.476275     0.212948    Biso  1.000000 C
   C79         1.0     0.839625     0.494857     0.191405    Biso  1.000000 C
   C80         1.0     0.786962     0.492913     0.254797    Biso  1.000000 C
   C81         1.0     0.690339     0.976160     0.839130    Biso  1.000000 C
   C82         1.0     0.754382     0.976275     0.787052    Biso  1.000000 C
   C83         1.0     0.339625     0.994857     0.808596    Biso  1.000000 C
   C84         1.0     0.286961     0.992913     0.745203    Biso  1.000000 C
   C85         1.0     0.309661     0.023840     0.160869    Biso  1.000000 C
   C86         1.0     0.245618     0.023725     0.212948    Biso  1.000000 C
   C87         1.0     0.660375     0.005143     0.191404    Biso  1.000000 C
   C88         1.0     0.713038     0.007087     0.254797    Biso  1.000000 C
   C89         1.0     0.809661     0.976160     0.660869    Biso  1.000000 C
   C90         1.0     0.745618     0.976275     0.712948    Biso  1.000000 C
   C91         1.0     0.160375     0.994857     0.691405    Biso  1.000000 C
   C92         1.0     0.213038     0.992913     0.754797    Biso  1.000000 C
   C93         1.0     0.190339     0.023840     0.339130    Biso  1.000000 C
   C94         1.0     0.254382     0.023725     0.287052    Biso  1.000000 C
   C95         1.0     0.839625     0.005143     0.308595    Biso  1.000000 C
   C96         1.0     0.786961     0.007087     0.245203    Biso  1.000000 C
   H1          1.0     0.187990     0.309525     0.530279    Biso  1.000000 H
   H2          1.0     0.310627     0.811017     0.500912    Biso  1.000000 H
   H3          1.0     0.410368     0.392201     0.617618    Biso  1.000000 H
   H4          1.0     0.812010     0.690475     0.469721    Biso  1.000000 H
   H5          1.0     0.689373     0.188983     0.499088    Biso  1.000000 H
   H6          1.0     0.589632     0.607799     0.382383    Biso  1.000000 H
   H7          1.0     0.312010     0.190475     0.530279    Biso  1.000000 H
   H8          1.0     0.189373     0.688982     0.500911    Biso  1.000000 H
   H9          1.0     0.089632     0.107799     0.617617    Biso  1.000000 H
   H10         1.0     0.687990     0.809525     0.469721    Biso  1.000000 H
   H11         1.0     0.810627     0.311017     0.499088    Biso  1.000000 H
   H12         1.0     0.910368     0.892201     0.382382    Biso  1.000000 H
   H13         1.0     0.312010     0.309525     0.969721    Biso  1.000000 H
   H14         1.0     0.189373     0.811017     0.999088    Biso  1.000000 H
   H15         1.0     0.089632     0.392201     0.882383    Biso  1.000000 H
   H16         1.0     0.687990     0.690475     0.030279    Biso  1.000000 H
   H17         1.0     0.810627     0.188983     0.000912    Biso  1.000000 H
   H18         1.0     0.910368     0.607799     0.117618    Biso  1.000000 H
   H19         1.0     0.187990     0.190475     0.969721    Biso  1.000000 H
   H20         1.0     0.310627     0.688983     0.999088    Biso  1.000000 H
   H21         1.0     0.410368     0.107799     0.882382    Biso  1.000000 H
   H22         1.0     0.812010     0.809525     0.030279    Biso  1.000000 H
   H23         1.0     0.689373     0.311017     0.000912    Biso  1.000000 H
   H24         1.0     0.589632     0.892201     0.117617    Biso  1.000000 H
   H25         1.0     0.035960     0.688175     0.309684    Biso  1.000000 H
   H26         1.0     0.007574     0.809930     0.811623    Biso  1.000000 H
   H27         1.0     0.964040     0.311825     0.690316    Biso  1.000000 H
   H28         1.0     0.992426     0.190070     0.188377    Biso  1.000000 H
   H29         1.0     0.035960     0.811825     0.190316    Biso  1.000000 H
   H30         1.0     0.007574     0.690070     0.688377    Biso  1.000000 H
   H31         1.0     0.964040     0.188175     0.809684    Biso  1.000000 H
   H32         1.0     0.992426     0.309930     0.311623    Biso  1.000000 H
   H33         1.0     0.464040     0.811825     0.309684    Biso  1.000000 H
   H34         1.0     0.492426     0.690070     0.811623    Biso  1.000000 H
   H35         1.0     0.535960     0.188175     0.690316    Biso  1.000000 H
   H36         1.0     0.507574     0.309930     0.188377    Biso  1.000000 H
   H37         1.0     0.464040     0.688175     0.190316    Biso  1.000000 H
   H38         1.0     0.492426     0.809930     0.688377    Biso  1.000000 H
   H39         1.0     0.535960     0.311825     0.809684    Biso  1.000000 H
   H40         1.0     0.507574     0.190070     0.311623    Biso  1.000000 H
   H41         1.0     0.809713     0.523461     0.688180    Biso  1.000000 H
   H42         1.0     0.311188     0.507440     0.810372    Biso  1.000000 H
   H43         1.0     0.893717     0.624585     0.918575    Biso  1.000000 H
   H44         1.0     0.190287     0.476539     0.311820    Biso  1.000000 H
   H45         1.0     0.688812     0.492560     0.189628    Biso  1.000000 H
   H46         1.0     0.106283     0.375415     0.081426    Biso  1.000000 H
   H47         1.0     0.690287     0.523461     0.811820    Biso  1.000000 H
   H48         1.0     0.188812     0.507440     0.689628    Biso  1.000000 H
   H49         1.0     0.606283     0.624585     0.581426    Biso  1.000000 H
   H50         1.0     0.309713     0.476539     0.188180    Biso  1.000000 H
   H51         1.0     0.811188     0.492560     0.310371    Biso  1.000000 H
   H52         1.0     0.393717     0.375415     0.418574    Biso  1.000000 H
   H53         1.0     0.809713     0.976539     0.811820    Biso  1.000000 H
   H54         1.0     0.311188     0.992560     0.689628    Biso  1.000000 H
   H55         1.0     0.893717     0.875416     0.581425    Biso  1.000000 H
   H56         1.0     0.190287     0.023461     0.188180    Biso  1.000000 H
   H57         1.0     0.688812     0.007440     0.310372    Biso  1.000000 H
   H58         1.0     0.106283     0.124585     0.418574    Biso  1.000000 H
   H59         1.0     0.690287     0.976539     0.688180    Biso  1.000000 H
   H60         1.0     0.188812     0.992560     0.810371    Biso  1.000000 H
   H61         1.0     0.606283     0.875415     0.918574    Biso  1.000000 H
   H62         1.0     0.309713     0.023461     0.311820    Biso  1.000000 H
   H63         1.0     0.811188     0.007440     0.189628    Biso  1.000000 H
   H64         1.0     0.393717     0.124585     0.081425    Biso  1.000000 H
