# generated using pymatgen
data_Ba4Li(IrO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85126800
_cell_length_b   15.59607762
_cell_length_c   10.12587937
_cell_angle_alpha   71.02884922
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.18795527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Li(IrO4)3
_chemical_formula_sum   'Ba12 Li3 Ir9 O36'
_cell_volume   856.49839836
_cell_formula_units_Z   3
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  0.12507700  0.74984500  0.12455200  1
  Ba  Ba1  1  0.62849000  0.74302000  0.62775200  1
  Ba  Ba2  1  0.37151000  0.25698000  0.37224800  1
  Ba  Ba3  1  0.87492300  0.25015500  0.87544800  1
  Ba  Ba4  1  0.71060300  0.57879400  0.04545600  1
  Ba  Ba5  1  0.20921700  0.58156500  0.54067800  1
  Ba  Ba6  1  0.79078300  0.41843500  0.45932200  1
  Ba  Ba7  1  0.28939700  0.42120600  0.95454400  1
  Ba  Ba8  1  0.95583600  0.08832900  0.63229700  1
  Ba  Ba9  1  0.45829400  0.08341300  0.11790600  1
  Ba  Ba10  1  0.54170600  0.91658700  0.88209400  1
  Ba  Ba11  1  0.04416400  0.91167100  0.36770300  1
  Li  Li12  1  0.75084800  0.49830400  0.74940800  1
  Li  Li13  1  0.24915200  0.50169600  0.25059200  1
  Li  Li14  1  0.00000000  0.00000000  0.00000000  1
  Ir  Ir15  1  0.32977300  0.34045500  0.66266400  1
  Ir  Ir16  1  0.82925400  0.34149200  0.16398300  1
  Ir  Ir17  1  0.17074600  0.65850800  0.83601700  1
  Ir  Ir18  1  0.67022700  0.65954500  0.33733600  1
  Ir  Ir19  1  0.07709200  0.84581700  0.74087500  1
  Ir  Ir20  1  0.57964800  0.84070400  0.24794800  1
  Ir  Ir21  1  0.42035200  0.15929600  0.75205200  1
  Ir  Ir22  1  0.92290800  0.15418300  0.25912500  1
  Ir  Ir23  1  0.50000000  0.00000000  0.50000000  1
  O  O24  1  0.94389300  0.58619700  0.29307700  1
  O  O25  1  0.44703200  0.58460800  0.79545600  1
  O  O26  1  0.70791100  0.58417800  0.53215800  1
  O  O27  1  0.20647000  0.58706000  0.03262800  1
  O  O28  1  0.46991100  0.58619700  0.29307700  1
  O  O29  1  0.96836100  0.58460800  0.79545600  1
  O  O30  1  0.55296800  0.41539200  0.20454400  1
  O  O31  1  0.05610700  0.41380300  0.70692300  1
  O  O32  1  0.79353000  0.41294000  0.96737200  1
  O  O33  1  0.29208900  0.41582200  0.46784200  1
  O  O34  1  0.03163900  0.41539200  0.20454400  1
  O  O35  1  0.53008900  0.41380300  0.70692300  1
  O  O36  1  0.69847500  0.08117000  0.37812900  1
  O  O37  1  0.22030600  0.08333500  0.86724400  1
  O  O38  1  0.95965400  0.08069200  0.13645600  1
  O  O39  1  0.45787600  0.08424700  0.61739200  1
  O  O40  1  0.22035500  0.08117000  0.37812900  1
  O  O41  1  0.69635900  0.08333500  0.86724400  1
  O  O42  1  0.77969400  0.91666500  0.13275600  1
  O  O43  1  0.30152500  0.91883000  0.62187100  1
  O  O44  1  0.54212400  0.91575300  0.38260800  1
  O  O45  1  0.04034600  0.91930800  0.86354400  1
  O  O46  1  0.30364100  0.91666500  0.13275600  1
  O  O47  1  0.77964500  0.91883000  0.62187100  1
  O  O48  1  0.39061400  0.74926800  0.37155800  1
  O  O49  1  0.89630500  0.75524200  0.86102400  1
  O  O50  1  0.62263400  0.75473200  0.13582200  1
  O  O51  1  0.12453800  0.75092400  0.63706700  1
  O  O52  1  0.86011800  0.74926800  0.37155800  1
  O  O53  1  0.34845200  0.75524200  0.86102400  1
  O  O54  1  0.10369500  0.24475800  0.13897600  1
  O  O55  1  0.60938600  0.25073200  0.62844200  1
  O  O56  1  0.87546200  0.24907600  0.36293300  1
  O  O57  1  0.37736600  0.24526800  0.86417800  1
  O  O58  1  0.65154800  0.24475800  0.13897600  1
  O  O59  1  0.13988200  0.25073200  0.62844200  1
