# generated using pymatgen
data_Ba3CuRu2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86993892
_cell_length_b   5.86993892
_cell_length_c   14.22149267
_cell_angle_alpha   89.99952629
_cell_angle_beta   90.00047371
_cell_angle_gamma   122.19038613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3CuRu2O9
_chemical_formula_sum   'Ba6 Cu2 Ru4 O18'
_cell_volume   414.69398974
_cell_formula_units_Z   2
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  0.67767992  0.32232008  0.59027845  1.0
  Ba  Ba1  1  0.32231924  0.67768076  0.40970716  1.0
  Ba  Ba2  1  0.32231974  0.67768026  0.09030565  1.0
  Ba  Ba3  1  0.67767971  0.32232029  0.90970697  1.0
  Ba  Ba4  1  0.98049752  0.01950248  0.25001286  1.0
  Ba  Ba5  1  0.01950381  0.98049619  0.74998781  1.0
  Cu  Cu6  1  0.00000272  0.99999728  0.49999879  1.0
  Cu  Cu7  1  0.00000273  0.99999727  0.00000036  1.0
  Ru  Ru8  1  0.64716672  0.35283328  0.34639550  1.0
  Ru  Ru9  1  0.35283227  0.64716773  0.65359381  1.0
  Ru  Ru10  1  0.35283543  0.64716457  0.84637636  1.0
  Ru  Ru11  1  0.64716251  0.35283749  0.15363614  1.0
  O  O12  1  0.82160242  0.68150055  0.41739283  1.0
  O  O13  1  0.68150433  0.82160236  0.58260182  1.0
  O  O14  1  0.17839478  0.31848800  0.91739090  1.0
  O  O15  1  0.31849181  0.17839435  0.08261412  1.0
  O  O16  1  0.17839764  0.31849567  0.58260182  1.0
  O  O17  1  0.31849945  0.17839758  0.41739283  1.0
  O  O18  1  0.82160565  0.68150819  0.08261412  1.0
  O  O19  1  0.68151200  0.82160522  0.91739090  1.0
  O  O20  1  0.19535151  0.80464849  0.58611887  1.0
  O  O21  1  0.80464495  0.19535505  0.41387401  1.0
  O  O22  1  0.80464836  0.19535164  0.08613119  1.0
  O  O23  1  0.19534643  0.80465357  0.91387642  1.0
  O  O24  1  0.50288833  0.49711167  0.74999246  1.0
  O  O25  1  0.49711696  0.50288304  0.25000752  1.0
  O  O26  1  0.50957494  0.94854303  0.74999251  1.0
  O  O27  1  0.94853018  0.50956904  0.25000765  1.0
  O  O28  1  0.49043196  0.05146982  0.25000765  1.0
  O  O29  1  0.05145697  0.49042506  0.74999251  1.0