# generated using pymatgen
data_Ba3LiRu2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86772396
_cell_length_b   5.86772396
_cell_length_c   14.39386500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999955
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LiRu2O9
_chemical_formula_sum   'Ba6 Li2 Ru4 O18'
_cell_volume   429.18783958
_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  0.58990900  1
  Ba  Ba1  1  0.66666700  0.33333300  0.08990900  1
  Ba  Ba2  1  0.66666700  0.33333300  0.41009100  1
  Ba  Ba3  1  0.33333300  0.66666700  0.91009100  1
  Ba  Ba4  1  0.00000000  0.00000000  0.25000000  1
  Ba  Ba5  1  0.00000000  0.00000000  0.75000000  1
  Li  Li6  1  0.00000000  0.00000000  0.00000000  1
  Li  Li7  1  0.00000000  0.00000000  0.50000000  1
  Ru  Ru8  1  0.33333300  0.66666700  0.34773800  1
  Ru  Ru9  1  0.66666700  0.33333300  0.84773800  1
  Ru  Ru10  1  0.66666700  0.33333300  0.65226200  1
  Ru  Ru11  1  0.33333300  0.66666700  0.15226200  1
  O  O12  1  0.48339200  0.96678500  0.25000000  1
  O  O13  1  0.51660800  0.48339200  0.75000000  1
  O  O14  1  0.96678500  0.48339200  0.75000000  1
  O  O15  1  0.03321500  0.51660800  0.25000000  1
  O  O16  1  0.48339200  0.51660800  0.25000000  1
  O  O17  1  0.51660800  0.03321500  0.75000000  1
  O  O18  1  0.17395700  0.34791400  0.41442200  1
  O  O19  1  0.82604300  0.17395700  0.91442200  1
  O  O20  1  0.34791400  0.17395700  0.91442200  1
  O  O21  1  0.65208600  0.82604300  0.41442200  1
  O  O22  1  0.17395700  0.82604300  0.41442200  1
  O  O23  1  0.82604300  0.65208600  0.58557800  1
  O  O24  1  0.82604300  0.17395700  0.58557800  1
  O  O25  1  0.82604300  0.65208600  0.91442200  1
  O  O26  1  0.34791400  0.17395700  0.58557800  1
  O  O27  1  0.65208600  0.82604300  0.08557800  1
  O  O28  1  0.17395700  0.34791400  0.08557800  1
  O  O29  1  0.17395700  0.82604300  0.08557800  1
