# generated using pymatgen
data_Ba9La9Cu9Ru9O46
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57101088
_cell_length_b   5.59438594
_cell_length_c   52.38124696
_cell_angle_alpha   119.83419019
_cell_angle_beta   119.11517306
_cell_angle_gamma   90.46787875
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba9La9Cu9Ru9O46
_chemical_formula_sum   'Ba9 La9 Cu9 Ru9 O46'
_cell_volume   1167.84372756
_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
  Ba  Ba0  1  0.74579395  0.26449838  0.94410328  1.0
  Ba  Ba1  1  0.74419849  0.24248862  0.83188277  1.0
  Ba  Ba2  1  0.75843139  0.25468418  0.72411196  1.0
  Ba  Ba3  1  0.75931216  0.25479428  0.61336379  1.0
  Ba  Ba4  1  0.76237848  0.24528812  0.50190413  1.0
  Ba  Ba5  1  0.25153226  0.72962184  0.27767525  1.0
  Ba  Ba6  1  0.23131128  0.73195500  0.16109863  1.0
  Ba  Ba7  1  0.72791175  0.24969014  0.27733496  1.0
  Ba  Ba8  1  0.73376256  0.23271339  0.16153760  1.0
  La  La9  1  0.16391555  0.70114963  0.92808990  1.0
  La  La10  1  0.29592872  0.79585628  0.84515319  1.0
  La  La11  1  0.28857830  0.78306767  0.73076764  1.0
  La  La12  1  0.29709533  0.78970250  0.62192361  1.0
  La  La13  1  0.29857816  0.77672321  0.50985601  1.0
  La  La14  1  0.20033912  0.70252743  0.38597337  1.0
  La  La15  1  0.71866879  0.21994100  0.38890543  1.0
  La  La16  1  0.25652985  0.74365667  0.05741042  1.0
  La  La17  1  0.73769421  0.25087372  0.05643868  1.0
  Cu  Cu18  1  0.98907256  0.99654636  0.88666766  1.0
  Cu  Cu19  1  0.49802098  0.50398909  0.88914617  1.0
  Cu  Cu20  1  0.51924571  0.51824321  0.78165432  1.0
  Cu  Cu21  1  0.52066924  0.52041123  0.67125893  1.0
  Cu  Cu22  1  0.51975601  0.51638928  0.56022357  1.0
  Cu  Cu23  1  0.49120223  0.48792464  0.44477616  1.0
  Cu  Cu24  1  0.48387134  0.48287896  0.33512083  1.0
  Cu  Cu25  1  0.47699094  0.47638120  0.21838782  1.0
  Cu  Cu26  1  0.47198945  0.47280126  0.10735800  1.0
  Ru  Ru27  1  0.00800588  0.00860602  0.66848728  1.0
  Ru  Ru28  1  0.00061284  -0.00041343  0.55585111  1.0
  Ru  Ru29  1  0.00530384  0.00542739  0.77871404  1.0
  Ru  Ru30  1  0.98433293  0.98643042  0.44403305  1.0
  Ru  Ru31  1  0.99278176  0.99033191  0.33382755  1.0
  Ru  Ru32  1  0.95345863  0.95332992  0.21661867  1.0
  Ru  Ru33  1  -0.00284956  -0.00277039  0.10870067  1.0
  Ru  Ru34  1  0.02980485  0.02364386  0.00352774  1.0
  Ru  Ru35  1  0.49859848  0.49061152  0.00387351  1.0
  O  O36  1  0.27930122  0.25538313  0.95254520  1.0
  O  O37  1  0.25865896  0.75720017  0.88975081  1.0
  O  O38  1  0.26139519  0.26669022  0.89105349  1.0
  O  O39  1  0.23364390  0.24215496  0.82986830  1.0
  O  O40  1  0.85732985  0.82154128  0.95323254  1.0
  O  O41  1  0.24032203  0.74764326  0.77377503  1.0
  O  O42  1  0.24099354  0.22233459  0.77395119  1.0
  O  O43  1  0.74107665  0.75138587  0.88827884  1.0
  O  O44  1  0.74108800  0.25370819  0.88902589  1.0
  O  O45  1  0.23849492  0.24098115  0.71958640  1.0
  O  O46  1  0.76253455  0.75065702  0.83323851  1.0
  O  O47  1  0.24324985  0.74952995  0.66356574  1.0
  O  O48  1  0.24000514  0.22403671  0.66312480  1.0
  O  O49  1  0.72222584  0.74473820  0.77350451  1.0
  O  O50  1  0.73017453  0.22455117  0.77432725  1.0
  O  O51  1  0.23293088  0.24682981  0.60663454  1.0
  O  O52  1  0.75089180  0.75528008  0.72418001  1.0
  O  O53  1  0.23551015  0.74042372  0.55120080  1.0
  O  O54  1  0.22670743  0.20625925  0.54884010  1.0
  O  O55  1  0.72881576  0.74691799  0.66370502  1.0
  O  O56  1  0.73458866  0.23009250  0.66417685  1.0
  O  O57  1  0.24679062  0.26710533  0.49348876  1.0
  O  O58  1  0.74967954  0.75318703  0.61356638  1.0
  O  O59  1  0.20785793  0.71552578  0.43736764  1.0
  O  O60  1  0.73225926  0.74504431  0.55299635  1.0
  O  O61  1  0.72559332  0.21904567  0.55087651  1.0
  O  O62  1  0.26468815  0.25604979  0.38927706  1.0
  O  O63  1  0.70744838  0.71692813  0.49716512  1.0
  O  O64  1  0.26026041  0.74013126  0.33628496  1.0
  O  O65  1  0.69874455  0.72669085  0.43530967  1.0
  O  O66  1  0.76613070  0.25557731  0.43982792  1.0
  O  O67  1  0.78388840  0.78266767  0.39134625  1.0
  O  O68  1  0.24819234  0.73231579  0.22062799  1.0
  O  O69  1  0.79469459  0.80222146  0.34396124  1.0
  O  O70  1  0.75448489  0.27045462  0.33624981  1.0
  O  O71  1  0.80020638  0.79876329  0.28413026  1.0
  O  O72  1  0.19498743  0.66565588  0.09929235  1.0
  O  O73  1  0.81961778  0.81682048  0.23414874  1.0
  O  O74  1  0.73357521  0.24810731  0.22081916  1.0
  O  O75  1  0.79311985  0.79364097  0.16803606  1.0
  O  O76  1  0.29266441  0.78208553  0.00857247  1.0
  O  O77  1  0.72267836  0.72316771  0.10451505  1.0
  O  O78  1  0.66779514  0.19716082  0.09950427  1.0
  O  O79  1  0.77843537  0.77653861  0.05671457  1.0
  O  O80  1  0.89870887  0.89607520  0.02308993  1.0
  O  O81  1  0.79273081  0.28870548  0.00806496  1.0