# generated using pymatgen
data_Ba4Er(IrO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97959185
_cell_length_b   9.97959161
_cell_length_c   9.97959180
_cell_angle_alpha   34.01764001
_cell_angle_beta   34.01764366
_cell_angle_gamma   34.01763961
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Er(IrO6)2
_chemical_formula_sum   'Ba4 Er1 Ir2 O12'
_cell_volume   277.28842376
_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  0.71148456  0.71148456  0.71148456  1.0
  Ba  Ba1  1  0.28851544  0.28851544  0.28851544  1.0
  Ba  Ba2  1  0.86722057  0.86722057  0.86722057  1.0
  Ba  Ba3  1  0.13277943  0.13277943  0.13277943  1.0
  Er  Er4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.57927600  0.57927600  0.57927600  1.0
  Ir  Ir6  1  0.42072400  0.42072400  0.42072400  1.0
  O  O7  1  0.22156756  0.69140360  0.22156756  1.0
  O  O8  1  0.22156756  0.22156756  0.69140360  1.0
  O  O9  1  0.69140360  0.22156756  0.22156756  1.0
  O  O10  1  0.77843244  0.30859640  0.77843244  1.0
  O  O11  1  0.77843244  0.77843244  0.30859640  1.0
  O  O12  1  0.30859640  0.77843244  0.77843244  1.0
  O  O13  1  0.38637111  0.86017713  0.38637111  1.0
  O  O14  1  0.38637111  0.38637111  0.86017713  1.0
  O  O15  1  0.86017713  0.38637111  0.38637111  1.0
  O  O16  1  0.61362889  0.13982287  0.61362889  1.0
  O  O17  1  0.61362889  0.61362889  0.13982287  1.0
  O  O18  1  0.13982287  0.61362889  0.61362889  1.0