# generated using pymatgen
data_BaRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78154876
_cell_length_b   5.78154901
_cell_length_c   9.63265614
_cell_angle_alpha   90.00001575
_cell_angle_beta   89.99998765
_cell_angle_gamma   119.99995873
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRuO3
_chemical_formula_sum   'Ba4 Ru4 O12'
_cell_volume   278.84654877
_cell_formula_units_Z   4
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  0.66666665  0.33333338  0.74999328  1.0
  Ba  Ba1  1  0.33333344  0.66666665  0.25000323  1.0
  Ba  Ba2  1  0.00000001  0.00000002  0.50001731  1.0
  Ba  Ba3  1  0.00000008  0.00000005  -0.00005128  1.0
  Ru  Ru4  1  0.66666674  0.33333346  0.38732360  1.0
  Ru  Ru5  1  0.33333328  0.66666658  0.88730919  1.0
  Ru  Ru6  1  0.33333319  0.66666648  0.61269140  1.0
  Ru  Ru7  1  0.66666674  0.33333338  0.11267801  1.0
  O  O8  1  0.63623852  0.81811846  0.75000444  1.0
  O  O9  1  0.81810423  0.63621013  0.25000818  1.0
  O  O10  1  0.81810610  0.18189587  0.25000813  1.0
  O  O11  1  0.18188158  0.81812035  0.75000451  1.0
  O  O12  1  0.18187946  0.36376136  0.75000442  1.0
  O  O13  1  0.36378993  0.18189380  0.25000814  1.0
  O  O14  1  0.49999722  0.50000165  0.50000853  1.0
  O  O15  1  0.00000859  0.50000484  -0.00000933  1.0
  O  O16  1  0.49999527  0.50000375  -0.00000940  1.0
  O  O17  1  0.00000440  0.50000285  0.50000849  1.0
  O  O18  1  0.49999828  -0.00000446  0.50000849  1.0
  O  O19  1  0.49999630  -0.00000861  -0.00000935  1.0