# generated using pymatgen
data_Ba3TmIrRuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92643589
_cell_length_b   5.92643589
_cell_length_c   14.61042100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999874
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3TmIrRuO9
_chemical_formula_sum   'Ba6 Tm2 Ir2 Ru2 O18'
_cell_volume   444.40664960
_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  0.66666700  0.33333300  0.40616800  1.0
  Ba  Ba1  1  0.33333300  0.66666700  0.59398700  1.0
  Ba  Ba2  1  0.33333300  0.66666700  0.90616800  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.09398700  1.0
  Ba  Ba4  1  0.00000000  0.00000000  0.74989800  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.24989800  1.0
  Tm  Tm6  1  0.00000000  0.00000000  0.50084400  1.0
  Tm  Tm7  1  0.00000000  0.00000000  0.00084400  1.0
  Ir  Ir8  1  0.66666700  0.33333300  0.66345800  1.0
  Ir  Ir9  1  0.33333300  0.66666700  0.16345800  1.0
  Ru  Ru10  1  0.33333300  0.66666700  0.33775700  1.0
  Ru  Ru11  1  0.66666700  0.33333300  0.83775700  1.0
  O  O12  1  0.50976900  0.01953800  0.75035800  1.0
  O  O13  1  0.50976900  0.49023100  0.75035800  1.0
  O  O14  1  0.98046200  0.49023100  0.75035800  1.0
  O  O15  1  0.49023100  0.98046200  0.25035800  1.0
  O  O16  1  0.49023100  0.50976900  0.25035800  1.0
  O  O17  1  0.01953800  0.50976900  0.25035800  1.0
  O  O18  1  0.82470100  0.64940200  0.91313500  1.0
  O  O19  1  0.82470100  0.17529900  0.91313500  1.0
  O  O20  1  0.35059800  0.17529900  0.91313500  1.0
  O  O21  1  0.17444400  0.34888700  0.08580200  1.0
  O  O22  1  0.17444400  0.82555600  0.08580200  1.0
  O  O23  1  0.65111300  0.82555600  0.08580200  1.0
  O  O24  1  0.17529900  0.35059800  0.41313500  1.0
  O  O25  1  0.17529900  0.82470100  0.41313500  1.0
  O  O26  1  0.64940200  0.82470100  0.41313500  1.0
  O  O27  1  0.82555600  0.65111300  0.58580200  1.0
  O  O28  1  0.82555600  0.17444400  0.58580200  1.0
  O  O29  1  0.34888700  0.17444400  0.58580200  1.0