# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87101990
_cell_length_b   47.23378127
_cell_length_c   49.88618004
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.85645449
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAl2
_chemical_formula_sum   'Ti192 Al384'
_cell_volume   20888.2720893
_cell_formula_units_Z   192
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ti  Ti1  1  0.529248  0.893676  0.348021  1
  Ti  Ti2  1  0.029248  0.393676  0.348021  1
  Ti  Ti3  1  0.128849  0.896342  0.312409  1
  Ti  Ti4  1  0.628849  0.396342  0.312409  1
  Ti  Ti5  1  0.965112  0.774469  0.287557  1
  Ti  Ti6  1  0.465112  0.274469  0.287557  1
  Ti  Ti7  1  0.357676  0.770551  0.319919  1
  Ti  Ti8  1  0.857676  0.270551  0.319919  1
  Ti  Ti9  1  0.547787  0.810601  0.341559  1
  Ti  Ti10  1  0.047787  0.310601  0.341559  1
  Ti  Ti11  1  0.149789  0.813006  0.305939  1
  Ti  Ti12  1  0.649789  0.313006  0.305939  1
  Ti  Ti13  1  0.620881  0.937512  0.315305  1
  Ti  Ti14  1  0.120881  0.437512  0.315305  1
  Ti  Ti15  1  0.020790  0.934785  0.350792  1
  Ti  Ti16  1  0.520790  0.434785  0.350792  1
  Ti  Ti17  1  0.878849  0.646342  0.312409  1
  Ti  Ti18  1  0.378849  0.146342  0.312409  1
  Ti  Ti19  1  0.279248  0.643676  0.348021  1
  Ti  Ti20  1  0.779248  0.143676  0.348021  1
  Ti  Ti21  1  0.715112  0.524469  0.287557  1
  Ti  Ti22  1  0.215112  0.024469  0.287557  1
  Ti  Ti23  1  0.107676  0.520551  0.319919  1
  Ti  Ti24  1  0.607676  0.020551  0.319919  1
  Ti  Ti25  1  0.899789  0.563006  0.305939  1
  Ti  Ti26  1  0.399789  0.063006  0.305939  1
  Ti  Ti27  1  0.297787  0.560601  0.341559  1
  Ti  Ti28  1  0.797787  0.060601  0.341559  1
  Ti  Ti29  1  0.770790  0.684785  0.350792  1
  Ti  Ti30  1  0.270790  0.184785  0.350792  1
  Ti  Ti31  1  0.370881  0.687512  0.315305  1
  Ti  Ti32  1  0.870881  0.187512  0.315305  1
  Ti  Ti33  1  0.330288  0.887847  0.419376  1
  Ti  Ti34  1  0.830288  0.387847  0.419376  1
  Ti  Ti35  1  0.930044  0.890709  0.383507  1
  Ti  Ti36  1  0.430044  0.390709  0.383507  1
  Ti  Ti37  1  0.756748  0.767635  0.355764  1
  Ti  Ti38  1  0.256748  0.267635  0.355764  1
  Ti  Ti39  1  0.156416  0.764912  0.392965  1
  Ti  Ti40  1  0.656416  0.264912  0.392965  1
  Ti  Ti41  1  0.347435  0.804703  0.413408  1
  Ti  Ti42  1  0.847435  0.304703  0.413408  1
  Ti  Ti43  1  0.947140  0.807593  0.377551  1
  Ti  Ti44  1  0.447140  0.307593  0.377551  1
  Ti  Ti45  1  0.421783  0.932093  0.386432  1
  Ti  Ti46  1  0.921783  0.432093  0.386432  1
  Ti  Ti47  1  0.822229  0.929174  0.422344  1
  Ti  Ti48  1  0.322229  0.429174  0.422344  1
  Ti  Ti49  1  0.680044  0.640709  0.383507  1
  Ti  Ti50  1  0.180044  0.140709  0.383507  1
  Ti  Ti51  1  0.080288  0.637847  0.419376  1
  Ti  Ti52  1  0.580288  0.137847  0.419376  1
  Ti  Ti53  1  0.506748  0.517635  0.355764  1
  Ti  Ti54  1  0.006748  0.017635  0.355764  1
  Ti  Ti55  1  0.906416  0.514912  0.392965  1
  Ti  Ti56  1  0.406416  0.014912  0.392965  1
  Ti  Ti57  1  0.697140  0.557593  0.377551  1
  Ti  Ti58  1  0.197140  0.057593  0.377551  1
  Ti  Ti59  1  0.097435  0.554703  0.413408  1
  Ti  Ti60  1  0.597435  0.054703  0.413408  1
  Ti  Ti61  1  0.572229  0.679174  0.422344  1
  Ti  Ti62  1  0.072229  0.179174  0.422344  1
  Ti  Ti63  1  0.171783  0.682093  0.386432  1
  Ti  Ti64  1  0.671783  0.182093  0.386432  1
  Ti  Ti65  1  0.129717  0.882146  0.490917  1
  Ti  Ti66  1  0.629717  0.382146  0.490917  1
  Ti  Ti67  1  0.730043  0.885005  0.455157  1
  Ti  Ti68  1  0.230043  0.385005  0.455157  1
  Ti  Ti69  1  0.555044  0.762151  0.428222  1
  Ti  Ti70  1  0.055044  0.262151  0.428222  1
  Ti  Ti71  1  0.954745  0.759353  0.463994  1
  Ti  Ti72  1  0.454745  0.259353  0.463994  1
  Ti  Ti73  1  0.146420  0.799130  0.484949  1
  Ti  Ti74  1  0.646420  0.299130  0.484949  1
  Ti  Ti75  1  0.746702  0.801900  0.449054  1
  Ti  Ti76  1  0.246702  0.301900  0.449054  1
  Ti  Ti77  1  0.221518  0.926250  0.458173  1
  Ti  Ti78  1  0.721518  0.426250  0.458173  1
  Ti  Ti79  1  0.621221  0.923456  0.493917  1
  Ti  Ti80  1  0.121221  0.423456  0.493917  1
  Ti  Ti81  1  0.480043  0.635005  0.455157  1
  Ti  Ti82  1  0.980043  0.135005  0.455157  1
  Ti  Ti83  1  0.879717  0.632146  0.490917  1
  Ti  Ti84  1  0.379717  0.132146  0.490917  1
  Ti  Ti85  1  0.305044  0.512151  0.428222  1
  Ti  Ti86  1  0.805044  0.012151  0.428222  1
  Ti  Ti87  1  0.704745  0.509353  0.463994  1
  Ti  Ti88  1  0.204745  0.009353  0.463994  1
  Ti  Ti89  1  0.496702  0.551900  0.449054  1
  Ti  Ti90  1  0.996702  0.051900  0.449054  1
  Ti  Ti91  1  0.896420  0.549130  0.484949  1
  Ti  Ti92  1  0.396420  0.049130  0.484949  1
  Ti  Ti93  1  0.371221  0.673456  0.493917  1
  Ti  Ti94  1  0.871221  0.173456  0.493917  1
  Ti  Ti95  1  0.971518  0.676250  0.458173  1
  Ti  Ti96  1  0.471518  0.176250  0.458173  1
  Ti  Ti97  1  0.929041  0.876474  0.562603  1
  Ti  Ti98  1  0.429041  0.376474  0.562603  1
  Ti  Ti99  1  0.529615  0.879317  0.526766  1
  Ti  Ti100  1  0.029615  0.379317  0.526766  1
  Ti  Ti101  1  0.354816  0.756471  0.500008  1
  Ti  Ti102  1  0.854816  0.256471  0.500008  1
  Ti  Ti103  1  0.754525  0.753686  0.535755  1
  Ti  Ti104  1  0.254525  0.253686  0.535755  1
  Ti  Ti105  1  0.946043  0.793412  0.556622  1
  Ti  Ti106  1  0.446043  0.293412  0.556622  1
  Ti  Ti107  1  0.546402  0.796243  0.520861  1
  Ti  Ti108  1  0.046402  0.296243  0.520861  1
  Ti  Ti109  1  0.021134  0.920616  0.529820  1
  Ti  Ti110  1  0.521134  0.420616  0.529820  1
  Ti  Ti111  1  0.420873  0.917767  0.565630  1
  Ti  Ti112  1  0.920873  0.417767  0.565630  1
  Ti  Ti113  1  0.279615  0.629317  0.526766  1
  Ti  Ti114  1  0.779615  0.129317  0.526766  1
  Ti  Ti115  1  0.679041  0.626474  0.562603  1
  Ti  Ti116  1  0.179041  0.126474  0.562603  1
  Ti  Ti117  1  0.104816  0.506471  0.500008  1
  Ti  Ti118  1  0.604816  0.006471  0.500008  1
  Ti  Ti119  1  0.504525  0.503686  0.535755  1
  Ti  Ti120  1  0.004525  1.003686  0.535755  1
  Ti  Ti121  1  0.296402  0.546243  0.520861  1
  Ti  Ti122  1  0.796402  0.046243  0.520861  1
  Ti  Ti123  1  0.696043  0.543412  0.556622  1
  Ti  Ti124  1  0.196043  0.043412  0.556622  1
  Ti  Ti125  1  0.170873  0.667767  0.565630  1
  Ti  Ti126  1  0.670873  0.167767  0.565630  1
  Ti  Ti127  1  0.771134  0.670616  0.529820  1
  Ti  Ti128  1  0.271134  0.170616  0.529820  1
  Ti  Ti129  1  0.729214  0.870573  0.634342  1
  Ti  Ti130  1  0.229214  0.370573  0.634342  1
  Ti  Ti131  1  0.328545  0.873616  0.598190  1
  Ti  Ti132  1  0.828545  0.373616  0.598190  1
  Ti  Ti133  1  0.153979  0.750875  0.571513  1
  Ti  Ti134  1  0.653979  0.250875  0.571513  1
  Ti  Ti135  1  0.554059  0.747979  0.607493  1
  Ti  Ti136  1  0.054059  0.247979  0.607493  1
  Ti  Ti137  1  0.745668  0.787431  0.628705  1
  Ti  Ti138  1  0.245668  0.287431  0.628705  1
  Ti  Ti139  1  0.345120  0.790643  0.592130  1
  Ti  Ti140  1  0.845120  0.290643  0.592130  1
  Ti  Ti141  1  0.819800  0.915045  0.601068  1
  Ti  Ti142  1  0.319800  0.415045  0.601068  1
  Ti  Ti143  1  0.220529  0.912408  0.637552  1
  Ti  Ti144  1  0.720529  0.412408  0.637552  1
  Ti  Ti145  1  0.078545  0.623616  0.598190  1
  Ti  Ti146  1  0.578545  0.123616  0.598190  1
  Ti  Ti147  1  0.479214  0.620573  0.634342  1
  Ti  Ti148  1  0.979214  0.120573  0.634342  1
  Ti  Ti149  1  0.903979  0.500875  0.571513  1
  Ti  Ti150  1  0.403979  1.000875  0.571513  1
  Ti  Ti151  1  0.304059  0.497979  0.607493  1
  Ti  Ti152  1  0.804059  0.997979  0.607493  1
  Ti  Ti153  1  0.095120  0.540643  0.592130  1
  Ti  Ti154  1  0.595120  0.040643  0.592130  1
  Ti  Ti155  1  0.495668  0.537431  0.628705  1
  Ti  Ti156  1  0.995668  0.037431  0.628705  1
  Ti  Ti157  1  0.970529  0.662408  0.637552  1
  Ti  Ti158  1  0.470529  0.162408  0.637552  1
  Ti  Ti159  1  0.569800  0.665045  0.601068  1
  Ti  Ti160  1  0.069800  0.165045  0.601068  1
  Ti  Ti161  1  0.530018  0.865791  0.703779  1
  Ti  Ti162  1  0.030018  0.365791  0.703779  1
  Ti  Ti163  1  0.129946  0.868247  0.669979  1
  Ti  Ti164  1  0.629946  0.368247  0.669979  1
  Ti  Ti165  1  0.954435  0.745340  0.643386  1
  Ti  Ti166  1  0.454435  0.245340  0.643386  1
  Ti  Ti167  1  0.352992  0.742835  0.679263  1
  Ti  Ti168  1  0.852992  0.242835  0.679263  1
  Ti  Ti169  1  0.537708  0.781425  0.698386  1
  Ti  Ti170  1  0.037708  0.281425  0.698386  1
  Ti  Ti171  1  0.144795  0.784830  0.664589  1
  Ti  Ti172  1  0.644795  0.284830  0.664589  1
  Ti  Ti173  1  0.623959  0.908912  0.672995  1
  Ti  Ti174  1  0.123959  0.408912  0.672995  1
  Ti  Ti175  1  0.021041  0.905635  0.705965  1
  Ti  Ti176  1  0.521041  0.405635  0.705965  1
  Ti  Ti177  1  0.879946  0.618247  0.669979  1
  Ti  Ti178  1  0.379946  0.118247  0.669979  1
  Ti  Ti179  1  0.280018  0.615791  0.703779  1
  Ti  Ti180  1  0.780018  0.115791  0.703779  1
  Ti  Ti181  1  0.704435  0.495340  0.643386  1
  Ti  Ti182  1  0.204435  0.995340  0.643386  1
  Ti  Ti183  1  0.102992  0.492835  0.679263  1
  Ti  Ti184  1  0.602992  0.992835  0.679263  1
  Ti  Ti185  1  0.894795  0.534830  0.664589  1
  Ti  Ti186  1  0.394795  0.034830  0.664589  1
  Ti  Ti187  1  0.287708  0.531425  0.698386  1
  Ti  Ti188  1  0.787708  0.031425  0.698386  1
  Ti  Ti189  1  0.771041  0.655635  0.705965  1
  Ti  Ti190  1  0.271041  0.155635  0.705965  1
  Ti  Ti191  1  0.373959  0.658912  0.672995  1
  Ti  Ti192  1  0.873959  0.158912  0.672995  1
  Al  Al193  1  0.659213  0.772693  0.303004  1
  Al  Al194  1  0.159213  0.272693  0.303004  1
  Al  Al195  1  0.059975  0.768808  0.339828  1
  Al  Al196  1  0.559975  0.268808  0.339828  1
  Al  Al197  1  0.637578  0.855528  0.309573  1
  Al  Al198  1  0.137578  0.355528  0.309573  1
  Al  Al199  1  0.041333  0.851947  0.345307  1
  Al  Al200  1  0.541333  0.351947  0.345307  1
  Al  Al201  1  0.942378  0.855624  0.293759  1
  Al  Al202  1  0.442378  0.355624  0.293759  1
  Al  Al203  1  0.338021  0.853426  0.327019  1
  Al  Al204  1  0.838021  0.353426  0.327019  1
  Al  Al205  1  0.846654  0.812847  0.324304  1
  Al  Al206  1  0.346654  0.312847  0.324304  1
  Al  Al207  1  0.446552  0.815661  0.290256  1
  Al  Al208  1  0.946552  0.315661  0.290256  1
  Al  Al209  1  0.828553  0.894358  0.330116  1
  Al  Al210  1  0.328553  0.394358  0.330116  1
  Al  Al211  1  0.426231  0.897954  0.296662  1
  Al  Al212  1  0.926231  0.397954  0.296662  1
  Al  Al213  1  0.864026  0.728411  0.317205  1
  Al  Al214  1  0.364026  0.228411  0.317205  1
  Al  Al215  1  0.265970  0.726357  0.353922  1
  Al  Al216  1  0.765970  0.226357  0.353922  1
  Al  Al217  1  0.564492  0.728025  0.334972  1
  Al  Al218  1  0.064492  0.228025  0.334972  1
  Al  Al219  1  0.166172  0.730814  0.301370  1
  Al  Al220  1  0.666172  0.230814  0.301370  1
  Al  Al221  1  0.918099  0.938188  0.299238  1
  Al  Al222  1  0.418099  0.438188  0.299238  1
  Al  Al223  1  0.320209  0.936817  0.333021  1
  Al  Al224  1  0.820209  0.436817  0.333021  1
  Al  Al225  1  0.809975  0.518808  0.339828  1
  Al  Al226  1  0.309975  0.018808  0.339828  1
  Al  Al227  1  0.409213  0.522693  0.303004  1
  Al  Al228  1  0.909213  0.022693  0.303004  1
  Al  Al229  1  0.791333  0.601947  0.345307  1
  Al  Al230  1  0.291333  0.101947  0.345307  1
  Al  Al231  1  0.387578  0.605528  0.309573  1
  Al  Al232  1  0.887578  0.105528  0.309573  1
  Al  Al233  1  0.692378  0.605624  0.293759  1
  Al  Al234  1  0.192378  0.105624  0.293759  1
  Al  Al235  1  0.088021  0.603426  0.327019  1
  Al  Al236  1  0.588021  0.103426  0.327019  1
  Al  Al237  1  0.596654  0.562847  0.324304  1
  Al  Al238  1  0.096654  0.062847  0.324304  1
  Al  Al239  1  0.196552  0.565661  0.290256  1
  Al  Al240  1  0.696552  0.065661  0.290256  1
  Al  Al241  1  0.578553  0.644358  0.330116  1
  Al  Al242  1  0.078553  0.144358  0.330116  1
  Al  Al243  1  0.176231  0.647954  0.296662  1
  Al  Al244  1  0.676231  0.147954  0.296662  1
  Al  Al245  1  0.515970  0.976357  0.353922  1
  Al  Al246  1  0.015970  0.476357  0.353922  1
  Al  Al247  1  0.114026  0.978411  0.317205  1
  Al  Al248  1  0.614026  0.478411  0.317205  1
  Al  Al249  1  0.916172  0.480814  0.301370  1
  Al  Al250  1  0.416172  0.980814  0.301370  1
  Al  Al251  1  0.314492  0.478025  0.334972  1
  Al  Al252  1  0.814492  0.978025  0.334972  1
  Al  Al253  1  0.668099  0.688188  0.299238  1
  Al  Al254  1  0.168099  0.188188  0.299238  1
  Al  Al255  1  0.070209  0.686817  0.333021  1
  Al  Al256  1  0.570209  0.186817  0.333021  1
  Al  Al257  1  0.456280  0.766225  0.374223  1
  Al  Al258  1  0.956280  0.266225  0.374223  1
  Al  Al259  1  0.854800  0.763278  0.410098  1
  Al  Al260  1  0.354800  0.263278  0.410098  1
  Al  Al261  1  0.438535  0.849217  0.380538  1
  Al  Al262  1  0.938535  0.349217  0.380538  1
  Al  Al263  1  0.838287  0.846458  0.416323  1
  Al  Al264  1  0.338287  0.346458  0.416323  1
  Al  Al265  1  0.738176  0.850510  0.362787  1
  Al  Al266  1  0.238176  0.350510  0.362787  1
  Al  Al267  1  0.138880  0.847506  0.398510  1
  Al  Al268  1  0.638880  0.347506  0.398510  1
  Al  Al269  1  0.647405  0.806169  0.395180  1
  Al  Al270  1  0.147405  0.306169  0.395180  1
  Al  Al271  1  0.248732  0.808906  0.359663  1
  Al  Al272  1  0.748732  0.308906  0.359663  1
  Al  Al273  1  0.630188  0.889024  0.401504  1
  Al  Al274  1  0.130188  0.389024  0.401504  1
  Al  Al275  1  0.229989  0.891878  0.365847  1
  Al  Al276  1  0.729989  0.391878  0.365847  1
  Al  Al277  1  0.663373  0.723521  0.389223  1
  Al  Al278  1  0.163373  0.223521  0.389223  1
  Al  Al279  1  0.063275  0.720409  0.425354  1
  Al  Al280  1  0.563275  0.220409  0.425354  1
  Al  Al281  1  0.364041  0.722171  0.407501  1
  Al  Al282  1  0.864041  0.222171  0.407501  1
  Al  Al283  1  0.963656  0.725111  0.371486  1
  Al  Al284  1  0.463656  0.225111  0.371486  1
  Al  Al285  1  0.721823  0.933821  0.368778  1
  Al  Al286  1  0.221823  0.433821  0.368778  1
  Al  Al287  1  0.121806  0.930918  0.404449  1
  Al  Al288  1  0.621806  0.430918  0.404449  1
  Al  Al289  1  0.604800  0.513278  0.410098  1
  Al  Al290  1  0.104800  0.013278  0.410098  1
  Al  Al291  1  0.206280  0.516225  0.374223  1
  Al  Al292  1  0.706280  0.016225  0.374223  1
  Al  Al293  1  0.588287  0.596458  0.416323  1
  Al  Al294  1  0.088287  0.096458  0.416323  1
  Al  Al295  1  0.188535  0.599217  0.380538  1
  Al  Al296  1  0.688535  0.099217  0.380538  1
  Al  Al297  1  0.488176  0.600510  0.362787  1
  Al  Al298  1  0.988176  0.100510  0.362787  1
  Al  Al299  1  0.888880  0.597506  0.398510  1
  Al  Al300  1  0.388880  0.097506  0.398510  1
  Al  Al301  1  0.397405  0.556169  0.395180  1
  Al  Al302  1  0.897405  0.056169  0.395180  1
  Al  Al303  1  0.998732  0.558906  0.359663  1
  Al  Al304  1  0.498732  0.058906  0.359663  1
  Al  Al305  1  0.380188  0.639024  0.401504  1
  Al  Al306  1  0.880188  0.139024  0.401504  1
  Al  Al307  1  0.979989  0.641878  0.365847  1
  Al  Al308  1  0.479989  0.141878  0.365847  1
  Al  Al309  1  0.313275  0.970409  0.425354  1
  Al  Al310  1  0.813275  0.470409  0.425354  1
  Al  Al311  1  0.913373  0.973521  0.389223  1
  Al  Al312  1  0.413373  0.473521  0.389223  1
  Al  Al313  1  0.713656  0.475111  0.371486  1
  Al  Al314  1  0.213656  0.975111  0.371486  1
  Al  Al315  1  0.114041  0.472171  0.407501  1
  Al  Al316  1  0.614041  0.972171  0.407501  1
  Al  Al317  1  0.471823  0.683821  0.368778  1
  Al  Al318  1  0.971823  0.183821  0.368778  1
  Al  Al319  1  0.871806  0.680918  0.404449  1
  Al  Al320  1  0.371806  0.180918  0.404449  1
  Al  Al321  1  0.255524  0.760435  0.446387  1
  Al  Al322  1  0.755524  0.260435  0.446387  1
  Al  Al323  1  0.654831  0.757663  0.481989  1
  Al  Al324  1  0.154831  0.257663  0.481989  1
  Al  Al325  1  0.238600  0.843609  0.452168  1
  Al  Al326  1  0.738600  0.343609  0.452168  1
  Al  Al327  1  0.638185  0.840744  0.487961  1
  Al  Al328  1  0.138185  0.340744  0.487961  1
  Al  Al329  1  0.538782  0.844700  0.434165  1
  Al  Al330  1  0.038782  0.344700  0.434165  1
  Al  Al331  1  0.938113  0.841877  0.470024  1
  Al  Al332  1  0.438113  0.341877  0.470024  1
  Al  Al333  1  0.446830  0.800758  0.467126  1
  Al  Al334  1  0.946830  0.300758  0.467126  1
  Al  Al335  1  0.046797  0.803699  0.431287  1
  Al  Al336  1  0.546797  0.303699  0.431287  1
  Al  Al337  1  0.430030  0.883226  0.473035  1
  Al  Al338  1  0.930030  0.383226  0.473035  1
  Al  Al339  1  0.030135  0.886070  0.437189  1
  Al  Al340  1  0.530135  0.386070  0.437189  1
  Al  Al341  1  0.463501  0.717664  0.461149  1
  Al  Al342  1  0.963501  0.217664  0.461149  1
  Al  Al343  1  0.863013  0.714837  0.496921  1
  Al  Al344  1  0.363013  0.214837  0.496921  1
  Al  Al345  1  0.162926  0.716564  0.479066  1
  Al  Al346  1  0.662926  0.216564  0.479066  1
  Al  Al347  1  0.763391  0.719418  0.443183  1
  Al  Al348  1  0.263391  0.219418  0.443183  1
  Al  Al349  1  0.521679  0.928049  0.440232  1
  Al  Al350  1  0.021679  0.428049  0.440232  1
  Al  Al351  1  0.921431  0.925198  0.476098  1
  Al  Al352  1  0.421431  0.425198  0.476098  1
  Al  Al353  1  0.404831  0.507663  0.481989  1
  Al  Al354  1  0.904831  0.007663  0.481989  1
  Al  Al355  1  0.005524  0.510435  0.446387  1
  Al  Al356  1  0.505524  0.010435  0.446387  1
  Al  Al357  1  0.388185  0.590744  0.487961  1
  Al  Al358  1  0.888185  0.090744  0.487961  1
  Al  Al359  1  0.988600  0.593609  0.452168  1
  Al  Al360  1  0.488600  0.093609  0.452168  1
  Al  Al361  1  0.288782  0.594700  0.434165  1
  Al  Al362  1  0.788782  0.094700  0.434165  1
  Al  Al363  1  0.688113  0.591877  0.470024  1
  Al  Al364  1  0.188113  0.091877  0.470024  1
  Al  Al365  1  0.196830  0.550758  0.467126  1
  Al  Al366  1  0.696830  0.050758  0.467126  1
  Al  Al367  1  0.796797  0.553699  0.431287  1
  Al  Al368  1  0.296797  0.053699  0.431287  1
  Al  Al369  1  0.180030  0.633226  0.473035  1
  Al  Al370  1  0.680030  0.133226  0.473035  1
  Al  Al371  1  0.780135  0.636070  0.437189  1
  Al  Al372  1  0.280135  0.136070  0.437189  1
  Al  Al373  1  0.113013  0.964837  0.496921  1
  Al  Al374  1  0.613013  0.464837  0.496921  1
  Al  Al375  1  0.713501  0.967664  0.461149  1
  Al  Al376  1  0.213501  0.467664  0.461149  1
  Al  Al377  1  0.513391  0.469418  0.443183  1
  Al  Al378  1  0.013391  0.969418  0.443183  1
  Al  Al379  1  0.912926  0.466564  0.479066  1
  Al  Al380  1  0.412926  0.966564  0.479066  1
  Al  Al381  1  0.271679  0.678049  0.440232  1
  Al  Al382  1  0.771679  0.178049  0.440232  1
  Al  Al383  1  0.671431  0.675198  0.476098  1
  Al  Al384  1  0.171431  0.175198  0.476098  1
  Al  Al385  1  0.054434  0.754821  0.517762  1
  Al  Al386  1  0.554434  0.254821  0.517762  1
  Al  Al387  1  0.454519  0.751923  0.553673  1
  Al  Al388  1  0.954519  0.251923  0.553673  1
  Al  Al389  1  0.037640  0.837957  0.523773  1
  Al  Al390  1  0.537640  0.337957  0.523773  1
  Al  Al391  1  0.437695  0.835118  0.559535  1
  Al  Al392  1  0.937695  0.335118  0.559535  1
  Al  Al393  1  0.338165  0.839043  0.505838  1
  Al  Al394  1  0.838165  0.339043  0.505838  1
  Al  Al395  1  0.737837  0.836187  0.541695  1
  Al  Al396  1  0.237837  0.336187  0.541695  1
  Al  Al397  1  0.245810  0.795160  0.538601  1
  Al  Al398  1  0.745810  0.295160  0.538601  1
  Al  Al399  1  0.846302  0.797941  0.502854  1
  Al  Al400  1  0.346302  0.297941  0.502854  1
  Al  Al401  1  0.229311  0.877586  0.544576  1
  Al  Al402  1  0.729311  0.377586  0.544576  1
  Al  Al403  1  0.829720  0.880425  0.508843  1
  Al  Al404  1  0.329720  0.380425  0.508843  1
  Al  Al405  1  0.262606  0.711966  0.532748  1
  Al  Al406  1  0.762606  0.211966  0.532748  1
  Al  Al407  1  0.662674  0.709243  0.568543  1
  Al  Al408  1  0.162674  0.209243  0.568543  1
  Al  Al409  1  0.962600  0.710887  0.550699  1
  Al  Al410  1  0.462600  0.210887  0.550699  1
  Al  Al411  1  0.562993  0.713709  0.514860  1
  Al  Al412  1  0.062993  0.213709  0.514860  1
  Al  Al413  1  0.321125  0.922339  0.511905  1
  Al  Al414  1  0.821125  0.422339  0.511905  1
  Al  Al415  1  0.720707  0.919549  0.547579  1
  Al  Al416  1  0.220707  0.419549  0.547579  1
  Al  Al417  1  0.204519  0.501923  0.553673  1
  Al  Al418  1  0.704519  1.001923  0.553673  1
  Al  Al419  1  0.804434  0.504821  0.517762  1
  Al  Al420  1  0.304434  0.004821  0.517762  1
  Al  Al421  1  0.187695  0.585118  0.559535  1
  Al  Al422  1  0.687695  0.085118  0.559535  1
  Al  Al423  1  0.787640  0.587957  0.523773  1
  Al  Al424  1  0.287640  0.087957  0.523773  1
  Al  Al425  1  0.088165  0.589043  0.505838  1
  Al  Al426  1  0.588165  0.089043  0.505838  1
  Al  Al427  1  0.487837  0.586187  0.541695  1
  Al  Al428  1  0.987837  0.086187  0.541695  1
  Al  Al429  1  0.995810  0.545160  0.538601  1
  Al  Al430  1  0.495810  0.045160  0.538601  1
  Al  Al431  1  0.596302  0.547941  0.502854  1
  Al  Al432  1  0.096302  0.047941  0.502854  1
  Al  Al433  1  0.979311  0.627586  0.544576  1
  Al  Al434  1  0.479311  0.127586  0.544576  1
  Al  Al435  1  0.579720  0.630425  0.508843  1
  Al  Al436  1  0.079720  0.130425  0.508843  1
  Al  Al437  1  0.912674  0.959243  0.568543  1
  Al  Al438  1  0.412674  0.459243  0.568543  1
  Al  Al439  1  0.512606  0.961966  0.532748  1
  Al  Al440  1  0.012606  0.461966  0.532748  1
  Al  Al441  1  0.312993  0.463709  0.514860  1
  Al  Al442  1  0.812993  0.963709  0.514860  1
  Al  Al443  1  0.712600  0.460887  0.550699  1
  Al  Al444  1  0.212600  0.960887  0.550699  1
  Al  Al445  1  0.071125  0.672339  0.511905  1
  Al  Al446  1  0.571125  0.172339  0.511905  1
  Al  Al447  1  0.470707  0.669549  0.547579  1
  Al  Al448  1  0.970707  0.169549  0.547579  1
  Al  Al449  1  0.854233  0.749196  0.589558  1
  Al  Al450  1  0.354233  0.249196  0.589558  1
  Al  Al451  1  0.253764  0.746489  0.625309  1
  Al  Al452  1  0.753764  0.246489  0.625309  1
  Al  Al453  1  0.837234  0.832102  0.595515  1
  Al  Al454  1  0.337234  0.332102  0.595515  1
  Al  Al455  1  0.236434  0.829361  0.631229  1
  Al  Al456  1  0.736434  0.329361  0.631229  1
  Al  Al457  1  0.136979  0.833393  0.577462  1
  Al  Al458  1  0.636979  0.333393  0.577462  1
  Al  Al459  1  0.537670  0.830392  0.613236  1
  Al  Al460  1  0.037670  0.330392  0.613236  1
  Al  Al461  1  0.045780  0.789413  0.610500  1
  Al  Al462  1  0.545780  0.289413  0.610500  1
  Al  Al463  1  0.646214  0.792214  0.574690  1
  Al  Al464  1  0.146214  0.292214  0.574690  1
  Al  Al465  1  0.029166  0.872044  0.616285  1
  Al  Al466  1  0.529166  0.372044  0.616285  1
  Al  Al467  1  0.629141  0.874650  0.580509  1
  Al  Al468  1  0.129141  0.374650  0.580509  1
  Al  Al469  1  0.062299  0.706394  0.604408  1
  Al  Al470  1  0.562299  0.206394  0.604408  1
  Al  Al471  1  0.461085  0.703609  0.640164  1
  Al  Al472  1  0.961085  0.203609  0.640164  1
  Al  Al473  1  0.762734  0.705315  0.622238  1
  Al  Al474  1  0.262734  0.205315  0.622238  1
  Al  Al475  1  0.361904  0.708150  0.586491  1
  Al  Al476  1  0.861904  0.208150  0.586491  1
  Al  Al477  1  0.120685  0.916714  0.583612  1
  Al  Al478  1  0.620685  0.416714  0.583612  1
  Al  Al479  1  0.520667  0.913684  0.619368  1
  Al  Al480  1  0.020667  0.413684  0.619368  1
  Al  Al481  1  0.003764  0.496489  0.625309  1
  Al  Al482  1  0.503764  0.996489  0.625309  1
  Al  Al483  1  0.604233  0.499196  0.589558  1
  Al  Al484  1  0.104233  0.999196  0.589558  1
  Al  Al485  1  0.986434  0.579361  0.631229  1
  Al  Al486  1  0.486434  0.079361  0.631229  1
  Al  Al487  1  0.587234  0.582102  0.595515  1
  Al  Al488  1  0.087234  0.082102  0.595515  1
  Al  Al489  1  0.886979  0.583393  0.577462  1
  Al  Al490  1  0.386979  0.083393  0.577462  1
  Al  Al491  1  0.287670  0.580392  0.613236  1
  Al  Al492  1  0.787670  0.080392  0.613236  1
  Al  Al493  1  0.795780  0.539413  0.610500  1
  Al  Al494  1  0.295780  0.039413  0.610500  1
  Al  Al495  1  0.396214  0.542214  0.574690  1
  Al  Al496  1  0.896214  0.042214  0.574690  1
  Al  Al497  1  0.779166  0.622044  0.616285  1
  Al  Al498  1  0.279166  0.122044  0.616285  1
  Al  Al499  1  0.379141  0.624650  0.580509  1
  Al  Al500  1  0.879141  0.124650  0.580509  1
  Al  Al501  1  0.711085  0.953609  0.640164  1
  Al  Al502  1  0.211085  0.453609  0.640164  1
  Al  Al503  1  0.312299  0.956394  0.604408  1
  Al  Al504  1  0.812299  0.456394  0.604408  1
  Al  Al505  1  0.111904  0.458150  0.586491  1
  Al  Al506  1  0.611904  0.958150  0.586491  1
  Al  Al507  1  0.512734  0.455315  0.622238  1
  Al  Al508  1  0.012734  0.955315  0.622238  1
  Al  Al509  1  0.870685  0.666714  0.583612  1
  Al  Al510  1  0.370685  0.166714  0.583612  1
  Al  Al511  1  0.270667  0.663684  0.619368  1
  Al  Al512  1  0.770667  0.163684  0.619368  1
  Al  Al513  1  0.654081  0.742920  0.661014  1
  Al  Al514  1  0.154081  0.242920  0.661014  1
  Al  Al515  1  0.056669  0.740576  0.695507  1
  Al  Al516  1  0.556669  0.240576  0.695507  1
  Al  Al517  1  0.637910  0.826087  0.666971  1
  Al  Al518  1  0.137910  0.326087  0.666971  1
  Al  Al519  1  0.038213  0.824125  0.700487  1
  Al  Al520  1  0.538213  0.324125  0.700487  1
  Al  Al521  1  0.937745  0.827547  0.648837  1
  Al  Al522  1  0.437745  0.327547  0.648837  1
  Al  Al523  1  0.333884  0.825088  0.685710  1
  Al  Al524  1  0.833884  0.325088  0.685710  1
  Al  Al525  1  0.842867  0.783215  0.682252  1
  Al  Al526  1  0.342867  0.283215  0.682252  1
  Al  Al527  1  0.442660  0.786882  0.645499  1
  Al  Al528  1  0.942660  0.286882  0.645499  1
  Al  Al529  1  0.829020  0.865498  0.687705  1
  Al  Al530  1  0.329020  0.365498  0.687705  1
  Al  Al531  1  0.428261  0.869029  0.651290  1
  Al  Al532  1  0.928261  0.369029  0.651290  1
  Al  Al533  1  0.864299  0.701317  0.676206  1
  Al  Al534  1  0.364299  0.201317  0.676206  1
  Al  Al535  1  0.266743  0.697602  0.708839  1
  Al  Al536  1  0.766743  0.197602  0.708839  1
  Al  Al537  1  0.562338  0.699482  0.693262  1
  Al  Al538  1  0.062338  0.199482  0.693262  1
  Al  Al539  1  0.164193  0.702380  0.657584  1
  Al  Al540  1  0.664193  0.202380  0.657584  1
  Al  Al541  1  0.919795  0.911279  0.653969  1
  Al  Al542  1  0.419795  0.411279  0.653969  1
  Al  Al543  1  0.321696  0.908471  0.690773  1
  Al  Al544  1  0.821696  0.408471  0.690773  1
  Al  Al545  1  0.806669  0.490576  0.695507  1
  Al  Al546  1  0.306669  0.990576  0.695507  1
  Al  Al547  1  0.404081  0.492920  0.661014  1
  Al  Al548  1  0.904081  0.992920  0.661014  1
  Al  Al549  1  0.788213  0.574125  0.700487  1
  Al  Al550  1  0.288213  0.074125  0.700487  1
  Al  Al551  1  0.387910  0.576087  0.666971  1
  Al  Al552  1  0.887910  0.076087  0.666971  1
  Al  Al553  1  0.687745  0.577547  0.648837  1
  Al  Al554  1  0.187745  0.077547  0.648837  1
  Al  Al555  1  0.083884  0.575088  0.685710  1
  Al  Al556  1  0.583884  0.075088  0.685710  1
  Al  Al557  1  0.592867  0.533215  0.682252  1
  Al  Al558  1  0.092867  0.033215  0.682252  1
  Al  Al559  1  0.192660  0.536882  0.645499  1
  Al  Al560  1  0.692660  0.036882  0.645499  1
  Al  Al561  1  0.579020  0.615498  0.687705  1
  Al  Al562  1  0.079020  0.115498  0.687705  1
  Al  Al563  1  0.178261  0.619029  0.651290  1
  Al  Al564  1  0.678261  0.119029  0.651290  1
  Al  Al565  1  0.516743  0.947602  0.708839  1
  Al  Al566  1  0.016743  0.447602  0.708839  1
  Al  Al567  1  0.114299  0.951317  0.676206  1
  Al  Al568  1  0.614299  0.451317  0.676206  1
  Al  Al569  1  0.914193  0.452380  0.657584  1
  Al  Al570  1  0.414193  0.952380  0.657584  1
  Al  Al571  1  0.312338  0.449482  0.693262  1
  Al  Al572  1  0.812338  0.949482  0.693262  1
  Al  Al573  1  0.669795  0.661279  0.653969  1
  Al  Al574  1  0.169795  0.161279  0.653969  1
  Al  Al575  1  0.071696  0.658471  0.690773  1
  Al  Al576  1  0.571696  0.158471  0.690773  1
