# generated using pymatgen
data_Ba3SmIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96312959
_cell_length_b   6.96312959
_cell_length_c   15.30163400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3SmIr2O9
_chemical_formula_sum   'Ba6 Sm2 Ir4 O18'
_cell_volume   642.50633570
_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  0.00000000  0.00000000  0.25000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.75000000  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.88238100  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.38238100  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.11761900  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.61761900  1.0
  Sm  Sm6  1  0.00000000  0.00000000  0.00000000  1.0
  Sm  Sm7  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir8  1  0.33333300  0.66666700  0.16159000  1.0
  Ir  Ir9  1  0.66666700  0.33333300  0.66159000  1.0
  Ir  Ir10  1  0.66666700  0.33333300  0.83841000  1.0
  Ir  Ir11  1  0.33333300  0.66666700  0.33841000  1.0
  O  O12  1  0.45296400  0.90592800  0.25000000  1.0
  O  O13  1  0.54703600  0.45296400  0.75000000  1.0
  O  O14  1  0.90592800  0.45296400  0.75000000  1.0
  O  O15  1  0.09407200  0.54703600  0.25000000  1.0
  O  O16  1  0.45296400  0.54703600  0.25000000  1.0
  O  O17  1  0.54703600  0.09407200  0.75000000  1.0
  O  O18  1  0.86321200  0.72642400  0.39391100  1.0
  O  O19  1  0.13678800  0.86321200  0.89391100  1.0
  O  O20  1  0.72642400  0.86321200  0.89391100  1.0
  O  O21  1  0.27357600  0.13678800  0.39391100  1.0
  O  O22  1  0.86321200  0.13678800  0.39391100  1.0
  O  O23  1  0.13678800  0.27357600  0.60608900  1.0
  O  O24  1  0.13678800  0.86321200  0.60608900  1.0
  O  O25  1  0.13678800  0.27357600  0.89391100  1.0
  O  O26  1  0.72642400  0.86321200  0.60608900  1.0
  O  O27  1  0.27357600  0.13678800  0.10608900  1.0
  O  O28  1  0.86321200  0.72642400  0.10608900  1.0
  O  O29  1  0.86321200  0.13678800  0.10608900  1.0