# generated using pymatgen
data_Ba3SmRu2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99428604
_cell_length_b   5.99428604
_cell_length_c   14.79117900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000044
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3SmRu2O9
_chemical_formula_sum   'Ba6 Sm2 Ru4 O18'
_cell_volume   460.26542160
_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  0.59911800  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.25000000  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.40088200  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.09911800  1.0
  Ba  Ba4  1  0.33333300  0.66666700  0.90088200  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.75000000  1.0
  Sm  Sm6  1  0.00000000  0.00000000  0.50000000  1.0
  Sm  Sm7  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru8  1  0.33333300  0.66666700  0.33443200  1.0
  Ru  Ru9  1  0.66666700  0.33333300  0.83443200  1.0
  Ru  Ru10  1  0.66666700  0.33333300  0.66556800  1.0
  Ru  Ru11  1  0.33333300  0.66666700  0.16556800  1.0
  O  O12  1  0.17757500  0.82242500  0.09081200  1.0
  O  O13  1  0.17757500  0.35515000  0.09081200  1.0
  O  O14  1  0.64485000  0.82242500  0.09081200  1.0
  O  O15  1  0.35515000  0.17757500  0.59081200  1.0
  O  O16  1  0.82242500  0.64485000  0.90918800  1.0
  O  O17  1  0.82242500  0.17757500  0.59081200  1.0
  O  O18  1  0.82242500  0.64485000  0.59081200  1.0
  O  O19  1  0.17757500  0.82242500  0.40918800  1.0
  O  O20  1  0.64485000  0.82242500  0.40918800  1.0
  O  O21  1  0.35515000  0.17757500  0.90918800  1.0
  O  O22  1  0.82242500  0.17757500  0.90918800  1.0
  O  O23  1  0.17757500  0.35515000  0.40918800  1.0
  O  O24  1  0.49051100  0.98102300  0.25000000  1.0
  O  O25  1  0.50948900  0.49051100  0.75000000  1.0
  O  O26  1  0.98102300  0.49051100  0.75000000  1.0
  O  O27  1  0.01897700  0.50948900  0.25000000  1.0
  O  O28  1  0.49051100  0.50948900  0.25000000  1.0
  O  O29  1  0.50948900  0.01897700  0.75000000  1.0