# generated using pymatgen
data_Ba3CaRu2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98194136
_cell_length_b   5.98194136
_cell_length_c   14.88618800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3CaRu2O9
_chemical_formula_sum   'Ba6 Ca2 Ru4 O18'
_cell_volume   461.31594425
_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  0.09745200  1.0
  Ba  Ba3  1  0.33333300  0.66666700  0.40254800  1.0
  Ba  Ba4  1  0.66666700  0.33333300  0.90254800  1.0
  Ba  Ba5  1  0.66666700  0.33333300  0.59745200  1.0
  Ca  Ca6  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca7  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru8  1  0.33333300  0.66666700  0.84285100  1.0
  Ru  Ru9  1  0.33333300  0.66666700  0.65714900  1.0
  Ru  Ru10  1  0.66666700  0.33333300  0.15714900  1.0
  Ru  Ru11  1  0.66666700  0.33333300  0.34285100  1.0
  O  O12  1  0.52767000  0.03293300  0.25000000  1.0
  O  O13  1  0.50526300  0.47233000  0.25000000  1.0
  O  O14  1  0.96706700  0.49473700  0.25000000  1.0
  O  O15  1  0.49473700  0.96706700  0.75000000  1.0
  O  O16  1  0.47233000  0.50526300  0.75000000  1.0
  O  O17  1  0.03293300  0.52767000  0.75000000  1.0
  O  O18  1  0.16469000  0.35309700  0.91000000  1.0
  O  O19  1  0.18840600  0.83531000  0.59000000  1.0
  O  O20  1  0.64690300  0.81159400  0.59000000  1.0
  O  O21  1  0.64690300  0.81159400  0.91000000  1.0
  O  O22  1  0.18840600  0.83531000  0.91000000  1.0
  O  O23  1  0.81159400  0.64690300  0.09000000  1.0
  O  O24  1  0.83531000  0.18840600  0.09000000  1.0
  O  O25  1  0.35309700  0.16469000  0.09000000  1.0
  O  O26  1  0.16469000  0.35309700  0.59000000  1.0
  O  O27  1  0.35309700  0.16469000  0.41000000  1.0
  O  O28  1  0.81159400  0.64690300  0.41000000  1.0
  O  O29  1  0.83531000  0.18840600  0.41000000  1.0