# generated using pymatgen
data_Ba3NiIr2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82469400
_cell_length_b   5.82469589
_cell_length_c   28.70623200
_cell_angle_alpha   89.99995632
_cell_angle_beta   89.99998018
_cell_angle_gamma   59.99997818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3NiIr2O9
_chemical_formula_sum   'Ba12 Ni4 Ir8 O36'
_cell_volume   843.43787010
_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  0.00000200  0.00000000  0.12500900  1.0
  Ba  Ba1  1  0.00000000  0.00000100  0.62501300  1.0
  Ba  Ba2  1  0.99999900  0.00000000  0.37502600  1.0
  Ba  Ba3  1  0.99999900  0.00000100  0.87500600  1.0
  Ba  Ba4  1  0.66666500  0.66666600  0.45828400  1.0
  Ba  Ba5  1  0.66666300  0.66666800  0.95823800  1.0
  Ba  Ba6  1  0.33333200  0.33333400  0.20817000  1.0
  Ba  Ba7  1  0.33333300  0.33333300  0.70822800  1.0
  Ba  Ba8  1  0.33333200  0.33333400  0.04175400  1.0
  Ba  Ba9  1  0.33333200  0.33333400  0.54180000  1.0
  Ba  Ba10  1  0.66666300  0.66666800  0.29170800  1.0
  Ba  Ba11  1  0.66666500  0.66666600  0.79174700  1.0
  Ni  Ni12  1  0.99999600  0.99998900  0.50002300  1.0
  Ni  Ni13  1  0.99999700  0.00000500  0.74997600  1.0
  Ni  Ni14  1  0.00002400  0.99999200  0.00002300  1.0
  Ni  Ni15  1  0.00004000  0.99998900  0.24998800  1.0
  Ir  Ir16  1  0.66666800  0.66666700  0.07989900  1.0
  Ir  Ir17  1  0.66666600  0.66666600  0.57991400  1.0
  Ir  Ir18  1  0.33333300  0.33333400  0.32977600  1.0
  Ir  Ir19  1  0.33333300  0.33333500  0.82980800  1.0
  Ir  Ir20  1  0.33333300  0.33333400  0.42022300  1.0
  Ir  Ir21  1  0.33333300  0.33333400  0.92017700  1.0
  Ir  Ir22  1  0.66666800  0.66666700  0.17009000  1.0
  Ir  Ir23  1  0.66666500  0.66666700  0.67010400  1.0
  O  O24  1  0.51047000  0.97904700  0.12498900  1.0
  O  O25  1  0.51050400  0.97898600  0.62500100  1.0
  O  O26  1  0.02122600  0.48938700  0.37499700  1.0
  O  O27  1  0.02088000  0.48955900  0.87499300  1.0
  O  O28  1  0.48938700  0.48938800  0.37499700  1.0
  O  O29  1  0.48956000  0.48956200  0.87499200  1.0
  O  O30  1  0.51047500  0.51048300  0.12498900  1.0
  O  O31  1  0.51050600  0.51050900  0.62500100  1.0
  O  O32  1  0.97905100  0.51047200  0.12498900  1.0
  O  O33  1  0.97898600  0.51050600  0.62500100  1.0
  O  O34  1  0.48938600  0.02122700  0.37499700  1.0
  O  O35  1  0.48955800  0.02088000  0.87499300  1.0
  O  O36  1  0.82812600  0.34374500  0.20860000  1.0
  O  O37  1  0.82806100  0.34387600  0.70858100  1.0
  O  O38  1  0.65613600  0.17193200  0.45856400  1.0
  O  O39  1  0.65624000  0.17188100  0.95857200  1.0
  O  O40  1  0.17193100  0.17193200  0.45856400  1.0
  O  O41  1  0.17187800  0.17188000  0.95857200  1.0
  O  O42  1  0.82812500  0.82812600  0.20860000  1.0
  O  O43  1  0.82806100  0.82806300  0.70858100  1.0
  O  O44  1  0.34374200  0.82812800  0.20860000  1.0
  O  O45  1  0.34387400  0.82806200  0.70858100  1.0
  O  O46  1  0.17195000  0.65610000  0.29145100  1.0
  O  O47  1  0.17188900  0.65622200  0.79142500  1.0
  O  O48  1  0.65609800  0.17195100  0.29145100  1.0
  O  O49  1  0.65622100  0.17189000  0.79142500  1.0
  O  O50  1  0.17193100  0.65613700  0.45856400  1.0
  O  O51  1  0.17187900  0.65624200  0.95857100  1.0
  O  O52  1  0.17194900  0.17195100  0.29145100  1.0
  O  O53  1  0.17188900  0.17189000  0.79142500  1.0
  O  O54  1  0.82806000  0.82806200  0.04141700  1.0
  O  O55  1  0.82808800  0.82808900  0.54141700  1.0
  O  O56  1  0.82806200  0.34387600  0.04141700  1.0
  O  O57  1  0.82808900  0.34382100  0.54141700  1.0
  O  O58  1  0.34387300  0.82806300  0.04141600  1.0
  O  O59  1  0.34381900  0.82809000  0.54141700  1.0