# generated using pymatgen
data_Ba3Ir2(NO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04724100
_cell_length_b   8.04724100
_cell_length_c   11.24670800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Ir2(NO2)12
_chemical_formula_sum   'Ba3 Ir2 N12 O24'
_cell_volume   728.31530314
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.50000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.00000000  1.0
  Ba  Ba2  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir3  1  0.50000000  0.00000000  0.75204000  1.0
  Ir  Ir4  1  0.00000000  0.50000000  0.24796000  1.0
  N  N5  1  0.50000000  0.00000000  0.50618700  1.0
  N  N6  1  0.00000000  0.50000000  0.09853300  1.0
  N  N7  1  0.85958700  0.69875400  0.32108300  1.0
  N  N8  1  0.30124600  0.14041300  0.67891700  1.0
  N  N9  1  0.14041300  0.69875400  0.32108300  1.0
  N  N10  1  0.69875400  0.14041300  0.67891700  1.0
  N  N11  1  0.50000000  0.00000000  0.90146700  1.0
  N  N12  1  0.00000000  0.50000000  0.49381300  1.0
  N  N13  1  0.14041300  0.30124600  0.32108300  1.0
  N  N14  1  0.69875400  0.85958700  0.67891700  1.0
  N  N15  1  0.85958700  0.30124600  0.32108300  1.0
  N  N16  1  0.30124600  0.85958700  0.67891700  1.0
  O  O17  1  0.34368300  0.16194500  0.56983000  1.0
  O  O18  1  0.75999300  0.74627900  0.05831600  1.0
  O  O19  1  0.00000000  0.82447500  0.31409200  1.0
  O  O20  1  0.50000000  0.41856700  0.75283200  1.0
  O  O21  1  0.65631700  0.16194500  0.56983000  1.0
  O  O22  1  0.24000700  0.74627900  0.05831600  1.0
  O  O23  1  0.16194500  0.34368300  0.43017000  1.0
  O  O24  1  0.74627900  0.75999300  0.94168400  1.0
  O  O25  1  0.41856700  0.50000000  0.24716800  1.0
  O  O26  1  0.82447500  0.00000000  0.68590800  1.0
  O  O27  1  0.74627900  0.24000700  0.94168400  1.0
  O  O28  1  0.16194500  0.65631700  0.43017000  1.0
  O  O29  1  0.25372100  0.24000700  0.94168400  1.0
  O  O30  1  0.83805500  0.65631700  0.43017000  1.0
  O  O31  1  0.58143300  0.50000000  0.24716800  1.0
  O  O32  1  0.17552500  0.00000000  0.68590800  1.0
  O  O33  1  0.83805500  0.34368300  0.43017000  1.0
  O  O34  1  0.25372100  0.75999300  0.94168400  1.0
  O  O35  1  0.24000700  0.25372100  0.05831600  1.0
  O  O36  1  0.65631700  0.83805500  0.56983000  1.0
  O  O37  1  0.00000000  0.17552500  0.31409200  1.0
  O  O38  1  0.50000000  0.58143300  0.75283200  1.0
  O  O39  1  0.75999300  0.25372100  0.05831600  1.0
  O  O40  1  0.34368300  0.83805500  0.56983000  1.0