# generated using pymatgen
data_Ba3LuIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86585260
_cell_length_b   5.86585870
_cell_length_c   14.44491455
_cell_angle_alpha   90.00000543
_cell_angle_beta   90.00001453
_cell_angle_gamma   119.99995048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LuIr2O9
_chemical_formula_sum   'Ba6 Lu2 Ir4 O18'
_cell_volume   430.43598156
_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  0.66666803  0.33333070  0.09026428  1.0
  Ba  Ba1  1  0.33333177  0.66666897  0.59031427  1.0
  Ba  Ba2  1  0.66666469  0.33333460  0.40965637  1.0
  Ba  Ba3  1  0.00000102  0.00000179  0.24998462  1.0
  Ba  Ba4  1  0.33333497  0.66666289  0.90973777  1.0
  Ba  Ba5  1  0.00000314  0.00000355  0.75004219  1.0
  Lu  Lu6  1  -0.00001190  -0.00000175  0.00003490  1.0
  Lu  Lu7  1  0.00000563  0.00000868  0.49999269  1.0
  Ir  Ir8  1  0.66666554  0.33333466  0.66329276  1.0
  Ir  Ir9  1  0.33333193  0.66666771  0.33668717  1.0
  Ir  Ir10  1  0.33333443  0.66666476  0.16325158  1.0
  Ir  Ir11  1  0.66666789  0.33333146  0.83676899  1.0
  O  O12  1  0.17414743  0.34829947  0.41508270  1.0
  O  O13  1  0.17413734  0.34826957  0.08485100  1.0
  O  O14  1  0.82588501  0.17411566  0.91512695  1.0
  O  O15  1  0.49188755  0.50811538  0.24996822  1.0
  O  O16  1  0.17414735  0.82585199  0.41508229  1.0
  O  O17  1  0.98362097  0.49181156  0.75004875  1.0
  O  O18  1  0.34824058  0.17411830  0.91512596  1.0
  O  O19  1  0.82585938  0.65172216  0.58491431  1.0
  O  O20  1  0.17413989  0.82586016  0.08485248  1.0
  O  O21  1  0.50818882  0.01637856  0.75004867  1.0
  O  O22  1  0.82588239  0.65175924  0.91512538  1.0
  O  O23  1  0.50819144  0.49181150  0.75004928  1.0
  O  O24  1  0.34827575  0.17413916  0.58491362  1.0
  O  O25  1  0.65169741  0.82585070  0.41508208  1.0
  O  O26  1  0.82585823  0.17414047  0.58491476  1.0
  O  O27  1  0.49188523  0.98377054  0.24996745  1.0
  O  O28  1  0.65172932  0.82586259  0.08485111  1.0
  O  O29  1  0.01622877  0.50811498  0.24996741  1.0