data_[Ba4Ag4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4757]
_cell_length_b [11.3587]
_cell_length_c [6.3126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ag2IrO6]
_chemical_formula_sum '[Ba4 Ag4 Ir2 O12]'
_cell_volume [462.1512]
_cell_formula_units_Z [2]
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  4  0.0000  0.3349  0.5000  1.0
  Ag  Ag1  4  0.0000  0.1284  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1068  0.1291  0.3226  1.0
  O  O4  4  0.2339  0.5000  0.3372  1.0
]