# generated using pymatgen
data_Ba3SmIrRuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95006067
_cell_length_b   5.95006067
_cell_length_c   14.72344482
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3SmIrRuO9
_chemical_formula_sum   'Ba6 Sm2 Ir2 Ru2 O18'
_cell_volume   451.42217068
_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  0.33333300  0.66666700  0.59372882  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.40000133  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.09320184  1.0
  Ba  Ba3  1  0.33333300  0.66666700  0.90003746  1.0
  Ba  Ba4  1  0.00000000  -0.00000000  0.25067205  1.0
  Ba  Ba5  1  0.00000000  -0.00000000  0.75080610  1.0
  Sm  Sm6  1  0.00000000  -0.00000000  0.49919339  1.0
  Sm  Sm7  1  0.00000000  -0.00000000  0.99913716  1.0
  Ir  Ir8  1  0.33333300  0.66666700  0.33452720  1.0
  Ir  Ir9  1  0.66666700  0.33333300  0.83459094  1.0
  Ru  Ru10  1  0.66666700  0.33333300  0.66503672  1.0
  Ru  Ru11  1  0.33333300  0.66666700  0.16489494  1.0
  O  O12  1  0.17901365  0.35802830  0.09192364  1.0
  O  O13  1  0.64197170  0.82098635  0.09192364  1.0
  O  O14  1  0.17901365  0.82098635  0.09192364  1.0
  O  O15  1  0.82232282  0.64464564  0.91257039  1.0
  O  O16  1  0.35535436  0.17767718  0.91257039  1.0
  O  O17  1  0.82232282  0.17767718  0.91257039  1.0
  O  O18  1  0.82108260  0.64216420  0.59218504  1.0
  O  O19  1  0.35783580  0.17891740  0.59218504  1.0
  O  O20  1  0.82108260  0.17891740  0.59218504  1.0
  O  O21  1  0.17767002  0.35534005  0.41256735  1.0
  O  O22  1  0.64465995  0.82232998  0.41256735  1.0
  O  O23  1  0.17767002  0.82232998  0.41256735  1.0
  O  O24  1  0.49008281  0.50991719  0.24767132  1.0
  O  O25  1  0.49008281  0.98016462  0.24767132  1.0
  O  O26  1  0.01983538  0.50991719  0.24767132  1.0
  O  O27  1  0.50985643  0.49014357  0.74781628  1.0
  O  O28  1  0.50985643  0.01971387  0.74781628  1.0
  O  O29  1  0.98028613  0.49014357  0.74781628  1.0