# generated using pymatgen
data_Ba3ErRu2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94147090
_cell_length_b   5.94147090
_cell_length_c   14.53691400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3ErRu2O9
_chemical_formula_sum   'Ba6 Er2 Ru4 O18'
_cell_volume   444.41709704
_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  0.90648000  1.0
  Ba  Ba3  1  0.66666700  0.33333300  0.40648000  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.09352000  1.0
  Ba  Ba5  1  0.33333300  0.66666700  0.59352000  1.0
  Er  Er6  1  0.00000000  0.00000000  0.00000000  1.0
  Er  Er7  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru8  1  0.33333300  0.66666700  0.16397900  1.0
  Ru  Ru9  1  0.66666700  0.33333300  0.66397900  1.0
  Ru  Ru10  1  0.66666700  0.33333300  0.83602100  1.0
  Ru  Ru11  1  0.33333300  0.66666700  0.33602100  1.0
  O  O12  1  0.49041700  0.98083300  0.25000000  1.0
  O  O13  1  0.50958300  0.49041700  0.75000000  1.0
  O  O14  1  0.98083300  0.49041700  0.75000000  1.0
  O  O15  1  0.01916700  0.50958300  0.25000000  1.0
  O  O16  1  0.49041700  0.50958300  0.25000000  1.0
  O  O17  1  0.50958300  0.01916700  0.75000000  1.0
  O  O18  1  0.17542500  0.35084900  0.41264600  1.0
  O  O19  1  0.82457500  0.17542500  0.91264600  1.0
  O  O20  1  0.35084900  0.17542500  0.91264600  1.0
  O  O21  1  0.64915100  0.82457500  0.41264600  1.0
  O  O22  1  0.17542500  0.82457500  0.41264600  1.0
  O  O23  1  0.82457500  0.64915100  0.58735400  1.0
  O  O24  1  0.82457500  0.17542500  0.58735400  1.0
  O  O25  1  0.82457500  0.64915100  0.91264600  1.0
  O  O26  1  0.35084900  0.17542500  0.58735400  1.0
  O  O27  1  0.64915100  0.82457500  0.08735400  1.0
  O  O28  1  0.17542500  0.35084900  0.08735400  1.0
  O  O29  1  0.17542500  0.82457500  0.08735400  1.0