# generated using pymatgen
data_BaRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79852392
_cell_length_b   5.79852392
_cell_length_c   14.25288500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999913
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRuO3
_chemical_formula_sum   'Ba6 Ru6 O18'
_cell_volume   415.01932829
_cell_formula_units_Z   6
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  0.41194500  1.0
  Ba  Ba1  1  0.66666700  0.33333300  0.91194500  1.0
  Ba  Ba2  1  0.66666700  0.33333300  0.58805500  1.0
  Ba  Ba3  1  0.33333300  0.66666700  0.08805500  1.0
  Ba  Ba4  1  0.00000000  0.00000000  0.75000000  1.0
  Ba  Ba5  1  0.00000000  0.00000000  0.25000000  1.0
  Ru  Ru6  1  0.33333300  0.66666700  0.83940900  1.0
  Ru  Ru7  1  0.66666700  0.33333300  0.33940900  1.0
  Ru  Ru8  1  0.66666700  0.33333300  0.16059100  1.0
  Ru  Ru9  1  0.33333300  0.66666700  0.66059100  1.0
  Ru  Ru10  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru11  1  0.00000000  0.00000000  0.00000000  1.0
  O  O12  1  0.83516400  0.67032900  0.41969800  1.0
  O  O13  1  0.32967100  0.16483600  0.41969800  1.0
  O  O14  1  0.83516400  0.16483600  0.41969800  1.0
  O  O15  1  0.16483600  0.83516400  0.91969800  1.0
  O  O16  1  0.16483600  0.83516400  0.58030200  1.0
  O  O17  1  0.16483600  0.32967100  0.91969800  1.0
  O  O18  1  0.67032900  0.83516400  0.91969800  1.0
  O  O19  1  0.32967100  0.16483600  0.08030200  1.0
  O  O20  1  0.83516400  0.67032900  0.08030200  1.0
  O  O21  1  0.16483600  0.32967100  0.58030200  1.0
  O  O22  1  0.67032900  0.83516400  0.58030200  1.0
  O  O23  1  0.83516400  0.16483600  0.08030200  1.0
  O  O24  1  0.51082400  0.48917600  0.25000000  1.0
  O  O25  1  0.02164800  0.51082400  0.75000000  1.0
  O  O26  1  0.48917600  0.97835200  0.75000000  1.0
  O  O27  1  0.51082400  0.02164800  0.25000000  1.0
  O  O28  1  0.97835200  0.48917600  0.25000000  1.0
  O  O29  1  0.48917600  0.51082400  0.75000000  1.0