# generated using pymatgen
data_TlSi215
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.40618400
_cell_length_b   16.40618400
_cell_length_c   16.40618400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi215
_chemical_formula_sum   'Tl1 Si215'
_cell_volume   4415.93562766
_cell_formula_units_Z   1
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
  Tl  Tl1  1  0.250000  0.250000  0.083332  1
  Si  Si2  1  0.250035  0.249965  0.416684  1
  Si  Si3  1  0.250000  0.250000  0.750009  1
  Si  Si4  1  0.249996  0.583356  0.083386  1
  Si  Si5  1  0.250050  0.584669  0.418001  1
  Si  Si6  1  0.249950  0.584669  0.748663  1
  Si  Si7  1  0.250000  0.916645  0.083386  1
  Si  Si8  1  0.249950  0.915331  0.418001  1
  Si  Si9  1  0.250050  0.915331  0.748663  1
  Si  Si10  1  0.583355  0.250000  0.083386  1
  Si  Si11  1  0.584669  0.250050  0.418001  1
  Si  Si12  1  0.584669  0.249950  0.748663  1
  Si  Si13  1  0.584669  0.584669  0.083382  1
  Si  Si14  1  0.583372  0.583373  0.416705  1
  Si  Si15  1  0.583396  0.583396  0.749936  1
  Si  Si16  1  0.584669  0.915331  0.083282  1
  Si  Si17  1  0.583396  0.916604  0.416728  1
  Si  Si18  1  0.583371  0.916629  0.749958  1
  Si  Si19  1  0.916644  0.250004  0.083386  1
  Si  Si20  1  0.915331  0.249950  0.418001  1
  Si  Si21  1  0.915331  0.250050  0.748663  1
  Si  Si22  1  0.915331  0.584669  0.083282  1
  Si  Si23  1  0.916603  0.583397  0.416729  1
  Si  Si24  1  0.916628  0.583372  0.749960  1
  Si  Si25  1  0.915331  0.915331  0.083382  1
  Si  Si26  1  0.916627  0.916628  0.416705  1
  Si  Si27  1  0.916604  0.916604  0.749936  1
  Si  Si28  1  -0.001867  -0.001867  0.000321  1
  Si  Si29  1  0.000003  0.000003  0.333329  1
  Si  Si30  1  -0.000106  -0.000106  0.666619  1
  Si  Si31  1  0.000455  0.333175  0.000158  1
  Si  Si32  1  -0.001867  0.333011  0.335199  1
  Si  Si33  1  -0.000149  0.333475  0.666553  1
  Si  Si34  1  -0.000149  0.666779  -0.000144  1
  Si  Si35  1  -0.000106  0.666714  0.333438  1
  Si  Si36  1  -0.000135  0.666670  0.666662  1
  Si  Si37  1  0.333175  0.000456  0.000158  1
  Si  Si38  1  0.333011  -0.001867  0.335199  1
  Si  Si39  1  0.333475  -0.000149  0.666553  1
  Si  Si40  1  0.339745  0.339745  -0.006414  1
  Si  Si41  1  0.333177  0.333177  0.332875  1
  Si  Si42  1  0.333414  0.333415  0.666629  1
  Si  Si43  1  0.333413  0.666702  -0.000080  1
  Si  Si44  1  0.333475  0.666779  0.333481  1
  Si  Si45  1  0.333514  0.667294  0.666038  1
  Si  Si46  1  0.666779  -0.000149  -0.000144  1
  Si  Si47  1  0.666713  -0.000106  0.333438  1
  Si  Si48  1  0.666670  -0.000135  0.666662  1
  Si  Si49  1  0.666702  0.333413  -0.000080  1
  Si  Si50  1  0.666778  0.333476  0.333481  1
  Si  Si51  1  0.667294  0.333514  0.666038  1
  Si  Si52  1  0.667294  0.667294  -0.000182  1
  Si  Si53  1  0.666670  0.666670  0.333467  1
  Si  Si54  1  0.666678  0.666679  0.666653  1
  Si  Si55  1  0.251169  0.081290  0.252042  1
  Si  Si56  1  0.250000  0.083175  0.583332  1
  Si  Si57  1  0.248831  0.081290  0.914622  1
  Si  Si58  1  0.248831  0.418710  0.252042  1
  Si  Si59  1  0.250000  0.416825  0.583332  1
  Si  Si60  1  0.251169  0.418711  0.914622  1
  Si  Si61  1  0.250000  0.750000  0.250158  1
  Si  Si62  1  0.250000  0.750000  0.583332  1
  Si  Si63  1  0.250000  0.750000  0.916508  1
  Si  Si64  1  0.583477  0.083146  0.250187  1
  Si  Si65  1  0.583428  0.083095  0.583343  1
  Si  Si66  1  0.583111  0.083529  0.916861  1
  Si  Si67  1  0.583111  0.416472  0.249804  1
  Si  Si68  1  0.583428  0.416906  0.583321  1
  Si  Si69  1  0.583477  0.416854  0.916478  1
  Si  Si70  1  0.583428  0.749989  0.250237  1
  Si  Si71  1  0.583452  0.750000  0.583332  1
  Si  Si72  1  0.583428  0.750011  0.916426  1
  Si  Si73  1  0.916889  0.083528  0.249804  1
  Si  Si74  1  0.916572  0.083095  0.583321  1
  Si  Si75  1  0.916523  0.083146  0.916478  1
  Si  Si76  1  0.916523  0.416855  0.250187  1
  Si  Si77  1  0.916572  0.416906  0.583343  1
  Si  Si78  1  0.916889  0.416471  0.916861  1
  Si  Si79  1  0.916572  0.750011  0.250237  1
  Si  Si80  1  0.916547  0.750000  0.583332  1
  Si  Si81  1  0.916572  0.749989  0.916426  1
  Si  Si82  1  0.000459  0.166821  0.166513  1
  Si  Si83  1  -0.000149  0.166525  0.500111  1
  Si  Si84  1  -0.001867  0.166989  0.831465  1
  Si  Si85  1  -0.001867  0.501867  0.166343  1
  Si  Si86  1  -0.000106  0.500106  0.500045  1
  Si  Si87  1  0.000004  0.499996  0.833335  1
  Si  Si88  1  -0.000149  0.833221  0.166808  1
  Si  Si89  1  -0.000135  0.833330  0.500002  1
  Si  Si90  1  -0.000106  0.833287  0.833226  1
  Si  Si91  1  0.339745  0.160255  0.173077  1
  Si  Si92  1  0.333416  0.166584  0.500037  1
  Si  Si93  1  0.333178  0.166822  0.833790  1
  Si  Si94  1  0.333179  0.499541  0.166513  1
  Si  Si95  1  0.333475  0.500149  0.500111  1
  Si  Si96  1  0.333011  0.501867  0.831465  1
  Si  Si97  1  0.333417  0.833294  0.166750  1
  Si  Si98  1  0.333514  0.832706  0.500626  1
  Si  Si99  1  0.333475  0.833221  0.833183  1
  Si  Si100  1  0.666706  0.166583  0.166750  1
  Si  Si101  1  0.667294  0.166486  0.500626  1
  Si  Si102  1  0.666779  0.166525  0.833183  1
  Si  Si103  1  0.666779  0.500149  0.166808  1
  Si  Si104  1  0.666670  0.500135  0.500002  1
  Si  Si105  1  0.666713  0.500106  0.833226  1
  Si  Si106  1  0.667294  0.832706  0.166846  1
  Si  Si107  1  0.666678  0.833322  0.500010  1
  Si  Si108  1  0.666670  0.833330  0.833196  1
  Si  Si109  1  0.081290  0.251169  0.252042  1
  Si  Si110  1  0.083175  0.250000  0.583332  1
  Si  Si111  1  0.081289  0.248831  0.914622  1
  Si  Si112  1  0.083145  0.583477  0.250187  1
  Si  Si113  1  0.083094  0.583428  0.583343  1
  Si  Si114  1  0.083529  0.583111  0.916861  1
  Si  Si115  1  0.083528  0.916889  0.249804  1
  Si  Si116  1  0.083094  0.916572  0.583321  1
  Si  Si117  1  0.083146  0.916523  0.916478  1
  Si  Si118  1  0.418710  0.248831  0.252042  1
  Si  Si119  1  0.416825  0.250000  0.583332  1
  Si  Si120  1  0.418710  0.251169  0.914622  1
  Si  Si121  1  0.416472  0.583111  0.249804  1
  Si  Si122  1  0.416905  0.583428  0.583321  1
  Si  Si123  1  0.416854  0.583477  0.916478  1
  Si  Si124  1  0.416854  0.916523  0.250187  1
  Si  Si125  1  0.416905  0.916572  0.583343  1
  Si  Si126  1  0.416471  0.916889  0.916861  1
  Si  Si127  1  0.750000  0.250000  0.250158  1
  Si  Si128  1  0.750000  0.250000  0.583332  1
  Si  Si129  1  0.750000  0.250000  0.916508  1
  Si  Si130  1  0.749989  0.583428  0.250237  1
  Si  Si131  1  0.750000  0.583453  0.583332  1
  Si  Si132  1  0.750011  0.583428  0.916426  1
  Si  Si133  1  0.750011  0.916572  0.250237  1
  Si  Si134  1  0.750000  0.916548  0.583332  1
  Si  Si135  1  0.749989  0.916572  0.916426  1
  Si  Si136  1  0.166820  0.000460  0.166513  1
  Si  Si137  1  0.166524  -0.000149  0.500111  1
  Si  Si138  1  0.166989  -0.001867  0.831465  1
  Si  Si139  1  0.160255  0.339745  0.173077  1
  Si  Si140  1  0.166586  0.333414  0.500035  1
  Si  Si141  1  0.166822  0.333178  0.833790  1
  Si  Si142  1  0.166583  0.666706  0.166750  1
  Si  Si143  1  0.166486  0.667294  0.500626  1
  Si  Si144  1  0.166525  0.666780  0.833183  1
  Si  Si145  1  0.501867  -0.001867  0.166343  1
  Si  Si146  1  0.500106  -0.000106  0.500045  1
  Si  Si147  1  0.499995  0.000005  0.833335  1
  Si  Si148  1  0.499540  0.333180  0.166513  1
  Si  Si149  1  0.500149  0.333476  0.500111  1
  Si  Si150  1  0.501867  0.333011  0.831465  1
  Si  Si151  1  0.500149  0.666779  0.166808  1
  Si  Si152  1  0.500135  0.666670  0.500002  1
  Si  Si153  1  0.500105  0.666714  0.833226  1
  Si  Si154  1  0.833221  -0.000149  0.166808  1
  Si  Si155  1  0.833330  -0.000135  0.500002  1
  Si  Si156  1  0.833286  -0.000105  0.833226  1
  Si  Si157  1  0.833294  0.333417  0.166750  1
  Si  Si158  1  0.832706  0.333514  0.500626  1
  Si  Si159  1  0.833220  0.333475  0.833183  1
  Si  Si160  1  0.832706  0.667294  0.166846  1
  Si  Si161  1  0.833321  0.666679  0.500010  1
  Si  Si162  1  0.833330  0.666670  0.833196  1
  Si  Si163  1  0.081290  0.081290  0.082162  1
  Si  Si164  1  0.083528  0.083528  0.416443  1
  Si  Si165  1  0.083146  0.083146  0.749855  1
  Si  Si166  1  0.081290  0.418710  0.084500  1
  Si  Si167  1  0.083146  0.416854  0.416809  1
  Si  Si168  1  0.083528  0.416472  0.750220  1
  Si  Si169  1  0.083175  0.750000  0.083331  1
  Si  Si170  1  0.083094  0.750011  0.416760  1
  Si  Si171  1  0.083094  0.749989  0.749904  1
  Si  Si172  1  0.418710  0.081290  0.084500  1
  Si  Si173  1  0.416854  0.083146  0.416809  1
  Si  Si174  1  0.416471  0.083529  0.750220  1
  Si  Si175  1  0.418710  0.418710  0.082162  1
  Si  Si176  1  0.416472  0.416472  0.416443  1
  Si  Si177  1  0.416854  0.416854  0.749855  1
  Si  Si178  1  0.416825  0.750000  0.083331  1
  Si  Si179  1  0.416905  0.749989  0.416760  1
  Si  Si180  1  0.416905  0.750011  0.749904  1
  Si  Si181  1  0.750000  0.083175  0.083331  1
  Si  Si182  1  0.750011  0.083095  0.416760  1
  Si  Si183  1  0.749989  0.083095  0.749904  1
  Si  Si184  1  0.750000  0.416825  0.083331  1
  Si  Si185  1  0.749989  0.416906  0.416760  1
  Si  Si186  1  0.750011  0.416906  0.749904  1
  Si  Si187  1  0.750000  0.750000  0.083332  1
  Si  Si188  1  0.750000  0.750000  0.416784  1
  Si  Si189  1  0.750000  0.750000  0.749879  1
  Si  Si190  1  0.160255  0.160255  -0.006414  1
  Si  Si191  1  0.166823  0.166823  0.332875  1
  Si  Si192  1  0.166585  0.166586  0.666628  1
  Si  Si193  1  0.166825  0.499545  0.000158  1
  Si  Si194  1  0.166989  0.501867  0.335199  1
  Si  Si195  1  0.166525  0.500149  0.666553  1
  Si  Si196  1  0.166587  0.833298  -0.000080  1
  Si  Si197  1  0.166524  0.833222  0.333481  1
  Si  Si198  1  0.166486  0.832706  0.666038  1
  Si  Si199  1  0.499544  0.166825  0.000158  1
  Si  Si200  1  0.501867  0.166989  0.335199  1
  Si  Si201  1  0.500149  0.166525  0.666553  1
  Si  Si202  1  0.501867  0.501867  0.000321  1
  Si  Si203  1  0.499997  0.499997  0.333329  1
  Si  Si204  1  0.500106  0.500106  0.666619  1
  Si  Si205  1  0.500149  0.833221  -0.000144  1
  Si  Si206  1  0.500106  0.833287  0.333438  1
  Si  Si207  1  0.500135  0.833330  0.666662  1
  Si  Si208  1  0.833298  0.166587  -0.000080  1
  Si  Si209  1  0.833221  0.166525  0.333481  1
  Si  Si210  1  0.832706  0.166486  0.666038  1
  Si  Si211  1  0.833221  0.500149  -0.000144  1
  Si  Si212  1  0.833286  0.500106  0.333438  1
  Si  Si213  1  0.833330  0.500135  0.666662  1
  Si  Si214  1  0.832706  0.832706  -0.000182  1
  Si  Si215  1  0.833330  0.833330  0.333467  1
  Si  Si216  1  0.833321  0.833322  0.666653  1